REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1sh0_1_B DATA FIRST_RESID 5 DATA SEQUENCE KGTYCGAPIL GPGSAPKLST KTKFWRSSTA PLPPGTYEPA YLGGKDPRVK DATA SEQUENCE GGPSLQQVMR DQLKPFTEPR GKPPKPSVLE AAKKTIINVL EQTIDPPDKW DATA SEQUENCE SFAQACASLD KTTSSGHPHH MRKNDCWNGE SFTGKLADQA SKANLMFEEG DATA SEQUENCE KNMTPVYTGA LKDELVKTDK IYGKIKKRLL WGSDLATMIR CARAFGGLMD DATA SEQUENCE ELKTHCVTLP IRVGMNMNED GPIIFERHSR YRYHYDADYS RWDSTQQRAV DATA SEQUENCE LAAALEIMVK FSSEPHLAQV VAEDLLSPSV VDVGDFTISI NEGLPSGVPC DATA SEQUENCE TSQWNSIAHW LLTLCALSEV TNLSPDIIQA NSLFSFYGDD EIVSTDIKLD DATA SEQUENCE PEKLTAKLKE YGLKPTRPDK TEGPLVISED LNGLTFLRRT VTRDPAGWFG DATA SEQUENCE KLEQSSILRQ MYWTRGPNHE DPSETMIPHS QRPIQLMSLL GEAALHGPAF DATA SEQUENCE YSKISKLVIA ELKEGGMDFY VPRQEPMFRW MRFSDLSTWE GDRNLAPSFV DATA SEQUENCE NED VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.576 176.600 -0.039 0.000 0.988 5 K CA 0.000 56.279 56.287 -0.013 0.000 0.838 5 K CB 0.000 32.496 32.500 -0.007 0.000 1.064 6 G N -0.529 108.240 108.800 -0.051 0.000 2.497 6 G HA2 0.087 4.047 3.960 0.001 0.000 0.686 6 G HA3 0.087 4.047 3.960 0.001 0.000 0.686 6 G C -1.135 173.709 174.900 -0.094 0.000 1.288 6 G CA -0.362 44.685 45.100 -0.088 0.000 0.899 6 G HN 0.108 nan 8.290 nan 0.000 0.608 7 T N -0.216 114.278 114.554 -0.100 0.000 2.912 7 T HA 0.645 4.995 4.350 0.001 0.000 0.299 7 T C -1.771 172.904 174.700 -0.042 0.000 1.052 7 T CA -0.297 61.767 62.100 -0.061 0.000 0.996 7 T CB 1.435 70.279 68.868 -0.040 0.000 1.070 7 T HN 1.129 nan 8.240 nan 0.000 0.465 8 Y N 2.437 122.643 120.300 -0.158 0.000 2.322 8 Y HA 0.357 4.908 4.550 0.001 0.000 0.324 8 Y C 0.493 176.356 175.900 -0.062 0.000 1.027 8 Y CA -0.690 57.327 58.100 -0.138 0.000 1.179 8 Y CB 0.494 38.844 38.460 -0.183 0.000 1.136 8 Y HN 0.927 nan 8.280 nan 0.000 0.449 9 C N 4.041 123.185 119.300 -0.260 0.000 4.274 9 C HA -0.156 4.304 4.460 0.001 0.000 0.297 9 C C 1.629 176.600 174.990 -0.031 0.000 1.446 9 C CA 1.303 60.229 59.018 -0.153 0.000 2.016 9 C CB -2.217 25.448 27.740 -0.125 0.000 1.273 9 C HN 1.778 nan 8.230 nan 0.000 0.782 10 G N -1.595 107.189 108.800 -0.026 0.000 2.159 10 G HA2 0.189 4.150 3.960 0.001 0.000 0.256 10 G HA3 0.189 4.150 3.960 0.001 0.000 0.256 10 G C -0.073 174.844 174.900 0.029 0.000 0.977 10 G CA 0.517 45.617 45.100 0.001 0.000 0.652 10 G HN 2.353 nan 8.290 nan 0.000 0.531 11 A N 0.334 123.184 122.820 0.050 0.000 2.330 11 A HA 0.840 5.161 4.320 0.001 0.000 0.327 11 A C -2.408 175.201 177.584 0.042 0.000 1.155 11 A CA -1.654 50.421 52.037 0.063 0.000 0.803 11 A CB 1.487 20.544 19.000 0.094 0.000 1.208 11 A HN 0.066 nan 8.150 nan 0.000 0.477 12 P HA 0.192 nan 4.420 nan 0.000 0.267 12 P C -0.587 176.707 177.300 -0.011 0.000 1.205 12 P CA 0.293 63.394 63.100 0.002 0.000 0.765 12 P CB 0.313 32.019 31.700 0.009 0.000 0.828 13 I N 3.609 124.146 120.570 -0.054 0.000 2.441 13 I HA 0.040 4.211 4.170 0.001 0.000 0.287 13 I C 1.489 177.595 176.117 -0.018 0.000 1.049 13 I CA 0.135 61.388 61.300 -0.078 0.000 1.381 13 I CB 0.547 38.413 38.000 -0.223 0.000 1.409 13 I HN 0.334 nan 8.210 nan 0.000 0.523 14 L N 5.462 126.692 121.223 0.011 0.000 2.470 14 L HA 0.432 4.772 4.340 0.001 0.000 0.219 14 L C 0.998 177.890 176.870 0.037 0.000 1.071 14 L CA 0.149 55.002 54.840 0.021 0.000 0.850 14 L CB -0.037 42.032 42.059 0.017 0.000 1.040 14 L HN 0.815 nan 8.230 nan 0.000 0.475 15 G N -1.488 107.353 108.800 0.067 0.000 2.427 15 G HA2 0.339 4.300 3.960 0.001 0.000 0.306 15 G HA3 0.339 4.300 3.960 0.001 0.000 0.306 15 G C -3.092 171.887 174.900 0.131 0.000 1.280 15 G CA -0.682 44.468 45.100 0.085 0.000 0.837 15 G HN -0.363 nan 8.290 nan 0.000 0.482 16 P HA 0.436 nan 4.420 nan 0.000 0.272 16 P C 0.328 177.596 177.300 -0.054 0.000 1.240 16 P CA 0.121 63.200 63.100 -0.035 0.000 0.791 16 P CB 0.950 32.614 31.700 -0.060 0.000 0.978 17 G N -0.614 108.104 108.800 -0.137 0.000 2.412 17 G HA2 0.450 4.410 3.960 0.001 0.000 0.318 17 G HA3 0.450 4.410 3.960 0.001 0.000 0.318 17 G C 0.209 175.064 174.900 -0.076 0.000 1.146 17 G CA -0.462 44.579 45.100 -0.099 0.000 0.882 17 G HN 0.490 nan 8.290 nan 0.000 0.501 18 S N -0.692 114.995 115.700 -0.021 0.000 2.847 18 S HA 0.529 4.999 4.470 0.001 0.000 0.254 18 S C 0.905 175.466 174.600 -0.064 0.000 1.039 18 S CA 0.431 58.624 58.200 -0.010 0.000 1.113 18 S CB 0.216 63.452 63.200 0.059 0.000 1.092 18 S HN 1.117 nan 8.310 nan 0.000 0.620 19 A N 3.603 126.351 122.820 -0.119 0.000 2.425 19 A HA 0.593 4.913 4.320 0.001 0.000 0.242 19 A C -1.915 175.479 177.584 -0.316 0.000 1.077 19 A CA -1.079 50.754 52.037 -0.339 0.000 0.781 19 A CB -0.562 18.328 19.000 -0.184 0.000 1.020 19 A HN 0.434 nan 8.150 nan 0.000 0.494 20 P HA 0.091 nan 4.420 nan 0.000 0.269 20 P C -0.543 176.670 177.300 -0.145 0.000 1.209 20 P CA -0.112 62.857 63.100 -0.219 0.000 0.776 20 P CB 0.384 31.969 31.700 -0.192 0.000 0.876 21 K N 1.373 121.712 120.400 -0.102 0.000 2.527 21 K HA 0.028 4.348 4.320 0.001 0.000 0.278 21 K C 0.313 176.872 176.600 -0.068 0.000 0.981 21 K CA -0.384 55.856 56.287 -0.079 0.000 1.009 21 K CB 0.017 32.479 32.500 -0.063 0.000 0.895 21 K HN 0.308 nan 8.250 nan 0.000 0.493 22 L N 2.090 123.276 121.223 -0.060 0.000 2.485 22 L HA -0.035 4.305 4.340 0.001 0.000 0.275 22 L C 0.980 177.820 176.870 -0.051 0.000 1.207 22 L CA 0.656 55.466 54.840 -0.050 0.000 0.855 22 L CB 0.617 42.650 42.059 -0.043 0.000 1.114 22 L HN 0.634 nan 8.230 nan 0.000 0.485 23 S N 1.120 116.794 115.700 -0.043 0.000 2.549 23 S HA 0.145 4.615 4.470 0.001 0.000 0.283 23 S C 0.955 175.510 174.600 -0.075 0.000 1.320 23 S CA 0.096 58.268 58.200 -0.046 0.000 1.058 23 S CB 0.302 63.486 63.200 -0.027 0.000 0.882 23 S HN 0.764 nan 8.310 nan 0.000 0.498 24 T N 1.779 116.280 114.554 -0.087 0.000 3.176 24 T HA 0.383 4.733 4.350 0.001 0.000 0.263 24 T C 0.166 174.778 174.700 -0.146 0.000 1.021 24 T CA -0.374 61.647 62.100 -0.132 0.000 0.905 24 T CB -0.142 68.653 68.868 -0.122 0.000 1.057 24 T HN 0.514 nan 8.240 nan 0.000 0.558 25 K N 0.656 120.987 120.400 -0.114 0.000 2.295 25 K HA 0.681 5.001 4.320 0.001 0.000 0.239 25 K C -0.785 175.745 176.600 -0.116 0.000 0.991 25 K CA -0.766 55.446 56.287 -0.126 0.000 0.845 25 K CB 2.143 34.608 32.500 -0.058 0.000 1.197 25 K HN 0.090 nan 8.250 nan 0.000 0.441 26 T N -0.309 114.148 114.554 -0.161 0.000 2.916 26 T HA 0.229 4.580 4.350 0.001 0.000 0.292 26 T C 0.154 174.873 174.700 0.032 0.000 1.055 26 T CA -0.738 61.322 62.100 -0.066 0.000 1.009 26 T CB 1.090 69.890 68.868 -0.113 0.000 1.118 26 T HN 0.699 nan 8.240 nan 0.000 0.497 27 K N 1.937 122.391 120.400 0.090 0.000 2.374 27 K HA 0.203 4.523 4.320 0.001 0.000 0.196 27 K C -0.513 176.137 176.600 0.083 0.000 1.023 27 K CA -0.183 56.157 56.287 0.088 0.000 1.103 27 K CB 0.043 32.513 32.500 -0.050 0.000 0.848 27 K HN 0.373 nan 8.250 nan 0.000 0.528 28 F N 1.282 121.326 119.950 0.156 0.000 2.394 28 F HA 0.347 4.875 4.527 0.001 0.000 0.340 28 F C -0.312 175.710 175.800 0.370 0.000 1.105 28 F CA -0.620 57.524 58.000 0.240 0.000 1.124 28 F CB 0.632 39.620 39.000 -0.022 0.000 1.145 28 F HN -0.045 nan 8.300 nan 0.000 0.505 29 W N 2.600 124.272 121.300 0.620 0.000 2.950 29 W HA 0.568 5.229 4.660 0.001 0.000 0.340 29 W C -0.466 176.366 176.519 0.522 0.000 1.139 29 W CA -1.076 56.568 57.345 0.499 0.000 1.188 29 W CB 0.870 30.408 29.460 0.129 0.000 1.426 29 W HN 0.103 nan 8.180 nan 0.000 0.531 30 R N 0.944 121.721 120.500 0.462 0.000 2.570 30 R HA 0.059 4.400 4.340 0.001 0.000 0.277 30 R C 1.239 177.607 176.300 0.114 0.000 1.039 30 R CA 0.394 56.489 56.100 -0.010 0.000 1.065 30 R CB 0.728 30.954 30.300 -0.124 0.000 0.964 30 R HN 0.706 nan 8.270 nan 0.000 0.428 31 S N -0.362 115.351 115.700 0.020 0.000 2.501 31 S HA 0.005 4.475 4.470 0.001 0.000 0.220 31 S C 0.737 175.334 174.600 -0.004 0.000 0.997 31 S CA 0.376 58.595 58.200 0.032 0.000 0.919 31 S CB 0.072 63.276 63.200 0.006 0.000 0.778 31 S HN 0.701 nan 8.310 nan 0.000 0.523 32 S N 0.006 115.697 115.700 -0.014 0.000 2.656 32 S HA 0.357 4.828 4.470 0.001 0.000 0.265 32 S C 0.427 175.022 174.600 -0.008 0.000 1.132 32 S CA -0.051 58.142 58.200 -0.011 0.000 0.819 32 S CB 0.455 63.639 63.200 -0.027 0.000 1.119 32 S HN 0.369 nan 8.310 nan 0.000 0.476 33 T N -0.961 113.592 114.554 -0.001 0.000 3.118 33 T HA 0.412 4.763 4.350 0.001 0.000 0.260 33 T C 0.969 175.667 174.700 -0.002 0.000 1.139 33 T CA 0.480 62.580 62.100 -0.000 0.000 1.085 33 T CB -0.852 68.019 68.868 0.005 0.000 0.934 33 T HN 1.438 nan 8.240 nan 0.000 0.518 34 A N 3.223 126.049 122.820 0.010 0.000 2.567 34 A HA 0.417 4.738 4.320 0.001 0.000 0.240 34 A C -2.067 175.525 177.584 0.014 0.000 1.053 34 A CA -1.033 51.025 52.037 0.034 0.000 0.755 34 A CB -0.395 18.655 19.000 0.083 0.000 0.978 34 A HN 0.338 nan 8.150 nan 0.000 0.507 35 P HA 0.189 nan 4.420 nan 0.000 0.268 35 P C -0.450 176.746 177.300 -0.173 0.000 1.204 35 P CA -0.350 62.708 63.100 -0.069 0.000 0.768 35 P CB 0.411 32.081 31.700 -0.051 0.000 0.842 36 L N 6.789 127.875 121.223 -0.227 0.000 2.385 36 L HA 0.304 4.645 4.340 0.001 0.000 0.281 36 L C -2.152 174.529 176.870 -0.315 0.000 1.106 36 L CA -1.845 52.763 54.840 -0.388 0.000 0.856 36 L CB -0.445 41.468 42.059 -0.243 0.000 1.186 36 L HN 0.285 nan 8.230 nan 0.000 0.453 37 P HA 0.121 nan 4.420 nan 0.000 0.264 37 P C -2.485 174.742 177.300 -0.121 0.000 1.193 37 P CA -0.723 62.238 63.100 -0.231 0.000 0.763 37 P CB -0.177 31.381 31.700 -0.235 0.000 0.810 38 P HA -0.001 nan 4.420 nan 0.000 0.263 38 P C 1.103 178.408 177.300 0.007 0.000 1.175 38 P CA 1.393 64.474 63.100 -0.031 0.000 0.761 38 P CB 0.157 31.839 31.700 -0.030 0.000 0.794 39 G N 1.489 110.313 108.800 0.039 0.000 2.199 39 G HA2 -0.241 3.720 3.960 0.001 0.000 0.254 39 G HA3 -0.241 3.720 3.960 0.001 0.000 0.254 39 G C 0.362 175.362 174.900 0.167 0.000 0.982 39 G CA 0.230 45.384 45.100 0.091 0.000 0.632 39 G HN 0.615 nan 8.290 nan 0.000 0.529 40 T N 1.929 116.568 114.554 0.142 0.000 2.916 40 T HA 0.406 4.756 4.350 0.001 0.000 0.303 40 T C 0.430 175.358 174.700 0.380 0.000 1.025 40 T CA -0.088 62.147 62.100 0.225 0.000 1.142 40 T CB 0.650 69.593 68.868 0.126 0.000 0.947 40 T HN 0.179 nan 8.240 nan 0.000 0.544 41 Y N 2.179 122.563 120.300 0.141 0.000 2.652 41 Y HA 0.164 4.714 4.550 0.001 0.000 0.344 41 Y C 1.247 177.162 175.900 0.025 0.000 1.254 41 Y CA -0.332 57.797 58.100 0.048 0.000 1.480 41 Y CB 0.156 38.595 38.460 -0.035 0.000 1.345 41 Y HN 0.634 nan 8.280 nan 0.000 0.617 42 E N 2.807 122.980 120.200 -0.044 0.000 2.369 42 E HA 0.380 4.730 4.350 0.001 0.000 0.270 42 E C -2.729 173.540 176.600 -0.552 0.000 0.909 42 E CA -2.480 53.742 56.400 -0.296 0.000 0.775 42 E CB 1.867 31.580 29.700 0.022 0.000 1.270 42 E HN 0.242 nan 8.360 nan 0.000 0.445 43 P HA -0.037 nan 4.420 nan 0.000 0.265 43 P C -0.928 176.166 177.300 -0.344 0.000 1.193 43 P CA 0.208 62.946 63.100 -0.603 0.000 0.765 43 P CB 0.400 31.807 31.700 -0.488 0.000 0.823 44 A N 4.022 126.683 122.820 -0.265 0.000 2.507 44 A HA 0.001 4.322 4.320 0.001 0.000 0.235 44 A C -0.071 177.451 177.584 -0.104 0.000 1.070 44 A CA -0.064 51.879 52.037 -0.156 0.000 0.768 44 A CB -0.657 18.282 19.000 -0.101 0.000 1.011 44 A HN 0.563 nan 8.150 nan 0.000 0.502 45 Y N 1.076 121.258 120.300 -0.196 0.000 3.059 45 Y HA -0.013 4.537 4.550 0.001 0.000 0.343 45 Y C 0.753 176.571 175.900 -0.137 0.000 1.273 45 Y CA 0.992 58.986 58.100 -0.177 0.000 1.572 45 Y CB 0.203 38.567 38.460 -0.160 0.000 1.228 45 Y HN 0.474 nan 8.280 nan 0.000 0.610 46 L N 5.698 126.491 121.223 -0.717 0.000 2.640 46 L HA 0.360 4.701 4.340 0.001 0.000 0.230 46 L C 1.196 177.650 176.870 -0.693 0.000 1.123 46 L CA 0.360 54.861 54.840 -0.565 0.000 0.900 46 L CB -0.648 41.184 42.059 -0.378 0.000 1.146 46 L HN 1.045 nan 8.230 nan 0.000 0.484 47 G N -0.092 107.882 108.800 -1.377 0.000 2.447 47 G HA2 -0.170 3.790 3.960 0.001 0.000 0.220 47 G HA3 -0.170 3.790 3.960 0.001 0.000 0.220 47 G C 0.504 175.156 174.900 -0.413 0.000 1.261 47 G CA -0.446 44.213 45.100 -0.735 0.000 1.000 47 G HN 0.068 nan 8.290 nan 0.000 0.515 48 G N -0.507 108.228 108.800 -0.109 0.000 2.625 48 G HA2 0.185 4.146 3.960 0.001 0.000 0.214 48 G HA3 0.185 4.146 3.960 0.001 0.000 0.214 48 G C 1.133 176.008 174.900 -0.041 0.000 1.132 48 G CA 1.567 46.661 45.100 -0.010 0.000 0.782 48 G HN 0.660 nan 8.290 nan 0.000 0.538 49 K N 0.019 120.357 120.400 -0.103 0.000 2.413 49 K HA 0.090 4.410 4.320 0.001 0.000 0.204 49 K C -0.203 176.332 176.600 -0.107 0.000 1.041 49 K CA -0.466 55.772 56.287 -0.082 0.000 1.082 49 K CB 0.652 33.109 32.500 -0.073 0.000 0.871 49 K HN 0.059 nan 8.250 nan 0.000 0.535 50 D N 2.632 122.928 120.400 -0.172 0.000 2.472 50 D HA -0.033 4.608 4.640 0.001 0.000 0.248 50 D C -1.451 174.812 176.300 -0.061 0.000 1.174 50 D CA -1.160 52.737 54.000 -0.172 0.000 0.883 50 D CB 1.293 41.926 40.800 -0.280 0.000 1.149 50 D HN 0.034 nan 8.370 nan 0.000 0.488 51 P HA -0.037 nan 4.420 nan 0.000 0.233 51 P C 0.883 178.209 177.300 0.044 0.000 1.167 51 P CA 0.570 63.671 63.100 0.003 0.000 0.770 51 P CB 0.378 32.080 31.700 0.003 0.000 0.837 52 R N -0.680 119.849 120.500 0.049 0.000 2.246 52 R HA 0.175 4.515 4.340 0.001 0.000 0.199 52 R C 0.251 176.626 176.300 0.124 0.000 0.984 52 R CA 0.372 56.545 56.100 0.121 0.000 1.015 52 R CB 0.299 30.652 30.300 0.089 0.000 0.930 52 R HN 0.051 nan 8.270 nan 0.000 0.475 53 V N 1.413 121.379 119.914 0.087 0.000 2.577 53 V HA 0.208 4.328 4.120 0.001 0.000 0.303 53 V C -0.771 175.375 176.094 0.087 0.000 1.042 53 V CA -1.040 61.319 62.300 0.098 0.000 0.872 53 V CB 2.026 33.925 31.823 0.126 0.000 0.998 53 V HN 0.028 nan 8.190 nan 0.000 0.423 54 K N 3.368 123.808 120.400 0.066 0.000 2.250 54 K HA 0.543 4.864 4.320 0.001 0.000 0.285 54 K C 0.874 177.500 176.600 0.043 0.000 1.097 54 K CA 0.423 56.739 56.287 0.049 0.000 0.913 54 K CB 0.822 33.346 32.500 0.040 0.000 1.179 54 K HN 1.135 nan 8.250 nan 0.000 0.462 55 G N 2.292 111.121 108.800 0.048 0.000 2.289 55 G HA2 -0.223 3.738 3.960 0.001 0.000 0.280 55 G HA3 -0.223 3.738 3.960 0.001 0.000 0.280 55 G C 0.417 175.348 174.900 0.051 0.000 1.089 55 G CA -0.278 44.846 45.100 0.041 0.000 0.939 55 G HN 0.773 nan 8.290 nan 0.000 0.499 56 G N 0.078 108.937 108.800 0.099 0.000 2.653 56 G HA2 0.707 4.668 3.960 0.001 0.000 0.265 56 G HA3 0.707 4.668 3.960 0.001 0.000 0.265 56 G C -1.035 173.931 174.900 0.110 0.000 1.237 56 G CA -0.313 44.848 45.100 0.102 0.000 0.946 56 G HN 0.419 nan 8.290 nan 0.000 0.522 57 P HA 0.192 nan 4.420 nan 0.000 0.274 57 P C 0.268 177.660 177.300 0.153 0.000 1.237 57 P CA -0.315 62.815 63.100 0.051 0.000 0.793 57 P CB 1.019 32.697 31.700 -0.037 0.000 0.977 58 S N 1.135 116.891 115.700 0.094 0.000 2.579 58 S HA 0.073 4.543 4.470 0.001 0.000 0.275 58 S C 1.538 176.205 174.600 0.112 0.000 1.345 58 S CA -0.520 57.732 58.200 0.087 0.000 1.031 58 S CB -0.072 63.157 63.200 0.048 0.000 0.892 58 S HN 0.369 nan 8.310 nan 0.000 0.529 59 L N 1.124 122.397 121.223 0.084 0.000 2.191 59 L HA -0.159 4.181 4.340 0.001 0.000 0.212 59 L C 2.719 179.620 176.870 0.053 0.000 1.103 59 L CA 1.184 56.068 54.840 0.074 0.000 0.769 59 L CB -0.612 41.452 42.059 0.009 0.000 0.908 59 L HN 0.679 nan 8.230 nan 0.000 0.438 60 Q N -0.683 119.144 119.800 0.046 0.000 2.124 60 Q HA -0.208 4.132 4.340 0.001 0.000 0.202 60 Q C 2.249 178.297 176.000 0.080 0.000 0.977 60 Q CA 1.192 57.033 55.803 0.062 0.000 0.850 60 Q CB -0.240 28.536 28.738 0.064 0.000 0.901 60 Q HN 0.352 nan 8.270 nan 0.000 0.429 61 Q N -0.030 119.806 119.800 0.059 0.000 2.046 61 Q HA -0.090 4.250 4.340 0.001 0.000 0.200 61 Q C 2.084 178.094 176.000 0.017 0.000 0.975 61 Q CA 1.181 57.003 55.803 0.031 0.000 0.836 61 Q CB -0.034 28.714 28.738 0.018 0.000 0.896 61 Q HN 0.311 nan 8.270 nan 0.000 0.428 62 V N 1.395 121.328 119.914 0.030 0.000 2.392 62 V HA -0.304 3.817 4.120 0.001 0.000 0.249 62 V C 2.485 178.592 176.094 0.022 0.000 1.059 62 V CA 2.049 64.362 62.300 0.020 0.000 1.051 62 V CB -0.619 31.242 31.823 0.063 0.000 0.658 62 V HN 0.431 nan 8.190 nan 0.000 0.455 63 M N -0.531 119.088 119.600 0.031 0.000 2.175 63 M HA -0.163 4.317 4.480 0.001 0.000 0.264 63 M C 2.401 178.720 176.300 0.031 0.000 1.063 63 M CA 1.721 57.034 55.300 0.021 0.000 1.119 63 M CB -0.190 32.417 32.600 0.013 0.000 1.377 63 M HN 0.135 nan 8.290 nan 0.000 0.415 64 R N 0.433 120.956 120.500 0.039 0.000 2.091 64 R HA -0.173 4.168 4.340 0.001 0.000 0.238 64 R C 1.631 177.923 176.300 -0.013 0.000 1.136 64 R CA 1.908 58.005 56.100 -0.004 0.000 0.959 64 R CB -0.586 29.664 30.300 -0.083 0.000 0.856 64 R HN 0.467 nan 8.270 nan 0.000 0.437 65 D N 0.252 120.646 120.400 -0.009 0.000 2.182 65 D HA -0.164 4.476 4.640 0.001 0.000 0.201 65 D C 1.931 178.251 176.300 0.033 0.000 0.986 65 D CA 1.098 55.096 54.000 -0.004 0.000 0.847 65 D CB -0.084 40.708 40.800 -0.014 0.000 0.942 65 D HN 0.216 nan 8.370 nan 0.000 0.467 66 Q N -0.316 119.518 119.800 0.057 0.000 2.311 66 Q HA 0.072 4.413 4.340 0.001 0.000 0.203 66 Q C 2.464 178.596 176.000 0.220 0.000 0.954 66 Q CA 0.221 56.098 55.803 0.124 0.000 0.885 66 Q CB 0.182 28.985 28.738 0.108 0.000 0.963 66 Q HN 0.391 nan 8.270 nan 0.000 0.471 67 L N 0.095 121.403 121.223 0.142 0.000 2.179 67 L HA -0.112 4.228 4.340 0.001 0.000 0.208 67 L C 2.209 179.219 176.870 0.233 0.000 1.096 67 L CA 0.716 55.664 54.840 0.181 0.000 0.779 67 L CB -0.202 41.903 42.059 0.076 0.000 0.922 67 L HN 0.045 nan 8.230 nan 0.000 0.443 68 K N 0.315 120.788 120.400 0.121 0.000 2.020 68 K HA -0.179 4.142 4.320 0.001 0.000 0.212 68 K C -0.503 176.145 176.600 0.079 0.000 1.050 68 K CA 1.784 58.114 56.287 0.072 0.000 0.929 68 K CB -1.264 31.244 32.500 0.014 0.000 0.714 68 K HN 0.182 nan 8.250 nan 0.000 0.443 69 P HA -0.159 nan 4.420 nan 0.000 0.218 69 P C 0.622 177.865 177.300 -0.095 0.000 1.146 69 P CA 1.219 64.290 63.100 -0.048 0.000 0.813 69 P CB 0.022 31.652 31.700 -0.117 0.000 0.778 70 F N -0.832 119.139 119.950 0.036 0.000 2.558 70 F HA -0.035 4.492 4.527 0.001 0.000 0.298 70 F C 2.058 177.875 175.800 0.028 0.000 1.119 70 F CA 1.517 59.546 58.000 0.049 0.000 1.451 70 F CB -0.860 38.229 39.000 0.149 0.000 1.091 70 F HN -0.001 nan 8.300 nan 0.000 0.563 71 T N -4.078 110.582 114.554 0.177 0.000 3.023 71 T HA 0.152 4.503 4.350 0.001 0.000 0.253 71 T C 0.544 175.267 174.700 0.038 0.000 1.038 71 T CA -0.150 62.009 62.100 0.099 0.000 0.962 71 T CB -0.089 68.832 68.868 0.088 0.000 1.018 71 T HN -0.141 nan 8.240 nan 0.000 0.521 72 E N 2.987 123.195 120.200 0.015 0.000 2.408 72 E HA 0.363 4.713 4.350 0.001 0.000 0.259 72 E C -2.438 174.146 176.600 -0.027 0.000 1.110 72 E CA -1.686 54.705 56.400 -0.015 0.000 0.929 72 E CB 0.151 29.832 29.700 -0.032 0.000 0.971 72 E HN 0.236 nan 8.360 nan 0.000 0.438 73 P HA 0.030 nan 4.420 nan 0.000 0.267 73 P C -0.575 176.694 177.300 -0.052 0.000 1.200 73 P CA 0.052 63.132 63.100 -0.034 0.000 0.772 73 P CB 0.535 32.217 31.700 -0.030 0.000 0.855 74 R N 1.276 121.744 120.500 -0.054 0.000 2.679 74 R HA 0.381 4.721 4.340 0.001 0.000 0.269 74 R C 1.185 177.447 176.300 -0.064 0.000 1.076 74 R CA -0.121 55.934 56.100 -0.075 0.000 1.160 74 R CB -0.171 30.084 30.300 -0.075 0.000 1.054 74 R HN 0.633 nan 8.270 nan 0.000 0.507 75 G N 0.566 109.322 108.800 -0.073 0.000 2.570 75 G HA2 0.040 4.000 3.960 0.001 0.000 0.276 75 G HA3 0.040 4.000 3.960 0.001 0.000 0.276 75 G C -0.532 174.352 174.900 -0.026 0.000 1.346 75 G CA -0.366 44.710 45.100 -0.039 0.000 1.034 75 G HN 0.370 nan 8.290 nan 0.000 0.512 76 K N 0.908 121.318 120.400 0.018 0.000 2.172 76 K HA 0.312 4.632 4.320 0.001 0.000 0.276 76 K C -2.188 174.408 176.600 -0.007 0.000 1.013 76 K CA -1.766 54.531 56.287 0.016 0.000 0.913 76 K CB 1.503 34.032 32.500 0.047 0.000 1.055 76 K HN 0.172 nan 8.250 nan 0.000 0.461 77 P HA 0.164 nan 4.420 nan 0.000 0.272 77 P C -2.640 174.529 177.300 -0.219 0.000 1.230 77 P CA -1.374 61.607 63.100 -0.198 0.000 0.788 77 P CB -0.160 31.454 31.700 -0.143 0.000 0.949 78 P HA 0.028 nan 4.420 nan 0.000 0.268 78 P C 0.002 177.258 177.300 -0.074 0.000 1.208 78 P CA 0.029 62.956 63.100 -0.288 0.000 0.777 78 P CB 0.176 31.634 31.700 -0.403 0.000 0.875 79 K N 4.681 125.097 120.400 0.027 0.000 2.434 79 K HA -0.141 4.179 4.320 0.001 0.000 0.266 79 K C -1.555 175.040 176.600 -0.009 0.000 1.096 79 K CA -0.281 56.019 56.287 0.022 0.000 1.182 79 K CB -0.217 32.312 32.500 0.048 0.000 0.813 79 K HN 0.280 nan 8.250 nan 0.000 0.490 80 P HA -0.252 nan 4.420 nan 0.000 0.216 80 P C 1.065 178.355 177.300 -0.016 0.000 1.153 80 P CA 1.795 64.881 63.100 -0.024 0.000 0.858 80 P CB 0.106 31.794 31.700 -0.019 0.000 0.789 81 S N -0.978 114.720 115.700 -0.005 0.000 2.423 81 S HA -0.122 4.349 4.470 0.001 0.000 0.231 81 S C 1.966 176.569 174.600 0.004 0.000 1.014 81 S CA 1.363 59.563 58.200 0.000 0.000 0.965 81 S CB -1.806 61.398 63.200 0.006 0.000 0.785 81 S HN 0.164 nan 8.310 nan 0.000 0.495 82 V N -0.334 119.585 119.914 0.008 0.000 2.488 82 V HA 0.118 4.239 4.120 0.001 0.000 0.246 82 V C 2.241 178.333 176.094 -0.003 0.000 1.046 82 V CA 1.111 63.421 62.300 0.018 0.000 1.053 82 V CB -0.987 30.862 31.823 0.045 0.000 0.679 82 V HN 0.397 nan 8.190 nan 0.000 0.458 83 L N 1.182 122.387 121.223 -0.030 0.000 2.042 83 L HA -0.101 4.239 4.340 0.001 0.000 0.210 83 L C 2.497 179.339 176.870 -0.046 0.000 1.076 83 L CA 2.669 57.474 54.840 -0.058 0.000 0.749 83 L CB -0.948 41.059 42.059 -0.086 0.000 0.893 83 L HN 0.587 nan 8.230 nan 0.000 0.432 84 E N -0.249 119.931 120.200 -0.032 0.000 2.072 84 E HA -0.133 4.218 4.350 0.001 0.000 0.191 84 E C 2.100 178.687 176.600 -0.022 0.000 0.985 84 E CA 1.509 57.893 56.400 -0.027 0.000 0.801 84 E CB -0.378 29.311 29.700 -0.019 0.000 0.750 84 E HN 0.520 nan 8.360 nan 0.000 0.452 85 A N 0.840 123.653 122.820 -0.011 0.000 1.902 85 A HA -0.009 4.311 4.320 0.001 0.000 0.217 85 A C 2.454 180.031 177.584 -0.011 0.000 1.181 85 A CA 2.054 54.090 52.037 -0.002 0.000 0.623 85 A CB -1.048 17.960 19.000 0.014 0.000 0.818 85 A HN 0.382 nan 8.150 nan 0.000 0.443 86 A N -0.043 122.766 122.820 -0.017 0.000 1.902 86 A HA -0.189 4.132 4.320 0.001 0.000 0.217 86 A C 2.128 179.646 177.584 -0.111 0.000 1.181 86 A CA 2.082 54.095 52.037 -0.040 0.000 0.623 86 A CB -0.466 18.517 19.000 -0.028 0.000 0.818 86 A HN 0.589 nan 8.150 nan 0.000 0.443 87 K N -0.209 120.134 120.400 -0.096 0.000 2.097 87 K HA -0.178 4.143 4.320 0.001 0.000 0.206 87 K C 2.094 178.641 176.600 -0.089 0.000 1.049 87 K CA 1.789 58.011 56.287 -0.109 0.000 0.933 87 K CB -0.179 32.280 32.500 -0.068 0.000 0.717 87 K HN 0.394 nan 8.250 nan 0.000 0.442 88 K N -0.152 120.216 120.400 -0.053 0.000 2.026 88 K HA -0.099 4.221 4.320 0.001 0.000 0.208 88 K C 1.946 178.525 176.600 -0.034 0.000 1.048 88 K CA 2.043 58.313 56.287 -0.028 0.000 0.929 88 K CB -0.113 32.380 32.500 -0.012 0.000 0.713 88 K HN 0.148 nan 8.250 nan 0.000 0.439 89 T N 1.315 115.842 114.554 -0.046 0.000 2.684 89 T HA -0.152 4.198 4.350 0.001 0.000 0.267 89 T C 1.772 176.411 174.700 -0.103 0.000 1.036 89 T CA 1.592 63.673 62.100 -0.032 0.000 1.148 89 T CB -0.186 68.686 68.868 0.008 0.000 0.863 89 T HN 0.170 nan 8.240 nan 0.000 0.436 90 I N 0.287 120.684 120.570 -0.288 0.000 2.179 90 I HA -0.125 4.046 4.170 0.001 0.000 0.242 90 I C 2.274 178.221 176.117 -0.283 0.000 1.088 90 I CA 1.238 62.184 61.300 -0.590 0.000 1.357 90 I CB -0.386 37.039 38.000 -0.957 0.000 1.051 90 I HN 0.207 nan 8.210 nan 0.000 0.409 91 I N 0.983 121.497 120.570 -0.093 0.000 2.151 91 I HA -0.364 3.806 4.170 0.001 0.000 0.243 91 I C 2.115 178.327 176.117 0.159 0.000 1.080 91 I CA 1.973 63.363 61.300 0.151 0.000 1.339 91 I CB -0.548 37.543 38.000 0.151 0.000 1.039 91 I HN 0.321 nan 8.210 nan 0.000 0.409 92 N N -0.154 118.586 118.700 0.066 0.000 2.084 92 N HA -0.162 4.579 4.740 0.001 0.000 0.190 92 N C 1.875 177.423 175.510 0.064 0.000 1.030 92 N CA 1.184 54.276 53.050 0.071 0.000 0.849 92 N CB -0.059 38.455 38.487 0.045 0.000 1.012 92 N HN 0.069 nan 8.380 nan 0.000 0.423 93 V N 1.746 121.689 119.914 0.048 0.000 2.287 93 V HA -0.233 3.887 4.120 0.001 0.000 0.248 93 V C 2.187 178.299 176.094 0.030 0.000 1.053 93 V CA 1.550 63.901 62.300 0.084 0.000 1.027 93 V CB -0.546 31.413 31.823 0.227 0.000 0.646 93 V HN 0.312 nan 8.190 nan 0.000 0.447 94 L N -0.644 120.541 121.223 -0.064 0.000 2.056 94 L HA -0.176 4.165 4.340 0.001 0.000 0.207 94 L C 2.543 179.319 176.870 -0.157 0.000 1.078 94 L CA 1.577 56.245 54.840 -0.287 0.000 0.749 94 L CB -0.633 40.911 42.059 -0.858 0.000 0.901 94 L HN 0.358 nan 8.230 nan 0.000 0.433 95 E N -0.103 120.180 120.200 0.137 0.000 2.160 95 E HA -0.265 4.086 4.350 0.001 0.000 0.195 95 E C 1.914 178.584 176.600 0.116 0.000 0.991 95 E CA 1.141 57.710 56.400 0.281 0.000 0.810 95 E CB 0.046 29.893 29.700 0.245 0.000 0.742 95 E HN 0.562 nan 8.360 nan 0.000 0.466 96 Q N -1.191 118.640 119.800 0.051 0.000 2.319 96 Q HA 0.061 4.401 4.340 0.001 0.000 0.202 96 Q C 1.041 177.023 176.000 -0.030 0.000 0.896 96 Q CA 0.533 56.348 55.803 0.020 0.000 0.942 96 Q CB 0.972 29.724 28.738 0.025 0.000 1.083 96 Q HN 0.109 nan 8.270 nan 0.000 0.510 97 T N 0.067 114.570 114.554 -0.086 0.000 3.182 97 T HA 0.211 4.561 4.350 0.001 0.000 0.244 97 T C 0.694 175.157 174.700 -0.394 0.000 0.981 97 T CA -0.114 61.853 62.100 -0.221 0.000 1.182 97 T CB 0.341 69.079 68.868 -0.217 0.000 1.043 97 T HN 0.240 nan 8.240 nan 0.000 0.424 98 I N 0.708 121.104 120.570 -0.289 0.000 2.488 98 I HA 0.663 4.834 4.170 0.001 0.000 0.299 98 I C -1.177 174.952 176.117 0.019 0.000 0.984 98 I CA -0.976 60.197 61.300 -0.212 0.000 1.250 98 I CB 1.060 38.993 38.000 -0.111 0.000 1.389 98 I HN -0.146 nan 8.210 nan 0.000 0.488 99 D N 5.073 125.542 120.400 0.115 0.000 2.312 99 D HA 0.373 5.014 4.640 0.001 0.000 0.248 99 D C -2.422 173.975 176.300 0.162 0.000 1.086 99 D CA -1.400 52.682 54.000 0.137 0.000 0.948 99 D CB 0.779 41.665 40.800 0.143 0.000 1.162 99 D HN 0.415 nan 8.370 nan 0.000 0.446 100 P HA 0.107 nan 4.420 nan 0.000 0.261 100 P C -2.398 174.984 177.300 0.137 0.000 1.183 100 P CA -0.568 62.618 63.100 0.144 0.000 0.761 100 P CB -0.228 31.535 31.700 0.105 0.000 0.785 101 P HA 0.128 nan 4.420 nan 0.000 0.274 101 P C -0.358 177.020 177.300 0.129 0.000 1.231 101 P CA -0.103 63.074 63.100 0.128 0.000 0.790 101 P CB 0.500 32.260 31.700 0.100 0.000 0.951 102 D N 1.487 121.982 120.400 0.159 0.000 2.400 102 D HA 0.033 4.674 4.640 0.001 0.000 0.238 102 D C 0.408 176.844 176.300 0.227 0.000 1.157 102 D CA 0.341 54.456 54.000 0.190 0.000 0.889 102 D CB 0.651 41.587 40.800 0.227 0.000 1.199 102 D HN 0.246 nan 8.370 nan 0.000 0.436 103 K N 0.635 121.165 120.400 0.216 0.000 2.295 103 K HA 0.093 4.414 4.320 0.001 0.000 0.270 103 K C -0.428 176.417 176.600 0.409 0.000 1.011 103 K CA -0.186 56.246 56.287 0.243 0.000 0.953 103 K CB 0.640 33.254 32.500 0.188 0.000 0.956 103 K HN 0.296 nan 8.250 nan 0.000 0.477 104 W N 1.840 123.162 121.300 0.037 0.000 2.429 104 W HA 0.177 4.838 4.660 0.001 0.000 0.314 104 W C 0.398 176.933 176.519 0.028 0.000 1.062 104 W CA -0.851 56.502 57.345 0.014 0.000 1.211 104 W CB 1.006 30.450 29.460 -0.026 0.000 1.305 104 W HN 0.588 nan 8.180 nan 0.000 0.476 105 S N 2.273 118.073 115.700 0.165 0.000 2.617 105 S HA 0.121 4.591 4.470 0.001 0.000 0.259 105 S C 0.880 175.585 174.600 0.175 0.000 1.301 105 S CA -0.335 57.956 58.200 0.151 0.000 0.984 105 S CB 0.520 63.773 63.200 0.088 0.000 0.954 105 S HN 0.406 nan 8.310 nan 0.000 0.572 106 F N 1.487 121.472 119.950 0.058 0.000 2.134 106 F HA 0.010 4.538 4.527 0.001 0.000 0.299 106 F C 2.409 178.242 175.800 0.055 0.000 1.097 106 F CA 1.432 59.470 58.000 0.063 0.000 1.264 106 F CB -1.204 37.841 39.000 0.076 0.000 1.001 106 F HN 0.721 nan 8.300 nan 0.000 0.479 107 A N -0.032 122.723 122.820 -0.108 0.000 1.902 107 A HA -0.220 4.100 4.320 0.001 0.000 0.217 107 A C 2.167 179.621 177.584 -0.217 0.000 1.181 107 A CA 1.767 53.673 52.037 -0.218 0.000 0.623 107 A CB -0.858 18.083 19.000 -0.097 0.000 0.818 107 A HN 0.588 nan 8.150 nan 0.000 0.443 108 Q N -0.700 118.970 119.800 -0.216 0.000 2.119 108 Q HA -0.067 4.274 4.340 0.001 0.000 0.201 108 Q C 2.416 178.184 176.000 -0.388 0.000 0.972 108 Q CA 1.258 56.824 55.803 -0.396 0.000 0.847 108 Q CB -0.371 28.005 28.738 -0.604 0.000 0.903 108 Q HN 0.690 nan 8.270 nan 0.000 0.433 109 A N 0.264 123.007 122.820 -0.128 0.000 1.877 109 A HA -0.200 4.121 4.320 0.001 0.000 0.216 109 A C 2.309 179.886 177.584 -0.012 0.000 1.186 109 A CA 1.359 53.450 52.037 0.090 0.000 0.620 109 A CB -0.953 18.146 19.000 0.165 0.000 0.822 109 A HN 0.493 nan 8.150 nan 0.000 0.443 110 C N -1.015 118.187 119.300 -0.162 0.000 2.432 110 C HA 0.070 4.530 4.460 0.001 0.000 0.277 110 C C 3.322 178.137 174.990 -0.292 0.000 1.249 110 C CA 0.749 59.659 59.018 -0.180 0.000 1.725 110 C CB -1.382 26.159 27.740 -0.333 0.000 2.028 110 C HN 0.705 nan 8.230 nan 0.000 0.477 111 A N 1.283 123.997 122.820 -0.177 0.000 1.978 111 A HA -0.186 4.134 4.320 0.001 0.000 0.220 111 A C 2.287 179.739 177.584 -0.220 0.000 1.170 111 A CA 2.349 54.291 52.037 -0.158 0.000 0.636 111 A CB -0.823 18.135 19.000 -0.070 0.000 0.810 111 A HN 0.739 nan 8.150 nan 0.000 0.448 112 S N -0.500 115.098 115.700 -0.170 0.000 2.423 112 S HA 0.076 4.546 4.470 0.001 0.000 0.231 112 S C 0.753 175.337 174.600 -0.026 0.000 1.014 112 S CA 0.166 58.331 58.200 -0.059 0.000 0.965 112 S CB -0.732 62.530 63.200 0.104 0.000 0.785 112 S HN 0.400 nan 8.310 nan 0.000 0.495 113 L N 2.467 123.642 121.223 -0.080 0.000 2.426 113 L HA 0.275 4.615 4.340 0.001 0.000 0.271 113 L C 0.384 177.190 176.870 -0.108 0.000 1.169 113 L CA -0.504 54.312 54.840 -0.039 0.000 0.836 113 L CB 0.137 42.216 42.059 0.034 0.000 1.112 113 L HN 0.154 nan 8.230 nan 0.000 0.465 114 D N 2.764 123.143 120.400 -0.034 0.000 2.434 114 D HA -0.038 4.603 4.640 0.001 0.000 0.252 114 D C 0.644 176.901 176.300 -0.071 0.000 1.185 114 D CA 0.205 54.181 54.000 -0.040 0.000 0.886 114 D CB 0.922 41.731 40.800 0.016 0.000 1.148 114 D HN 0.334 nan 8.370 nan 0.000 0.483 115 K N 1.946 122.269 120.400 -0.129 0.000 2.400 115 K HA -0.016 4.304 4.320 0.001 0.000 0.194 115 K C 1.575 178.154 176.600 -0.036 0.000 1.033 115 K CA 0.443 56.642 56.287 -0.146 0.000 1.021 115 K CB 0.053 32.386 32.500 -0.279 0.000 0.808 115 K HN 0.531 nan 8.250 nan 0.000 0.505 116 T N -1.337 113.210 114.554 -0.012 0.000 3.100 116 T HA -0.007 4.344 4.350 0.001 0.000 0.253 116 T C 1.082 175.803 174.700 0.035 0.000 1.118 116 T CA 0.028 62.139 62.100 0.018 0.000 1.058 116 T CB -0.222 68.657 68.868 0.018 0.000 0.953 116 T HN 0.152 nan 8.240 nan 0.000 0.515 117 T N -0.408 114.169 114.554 0.038 0.000 2.948 117 T HA 0.624 4.974 4.350 0.001 0.000 0.285 117 T C 0.048 174.783 174.700 0.059 0.000 1.019 117 T CA -0.770 61.362 62.100 0.054 0.000 1.013 117 T CB 1.606 70.511 68.868 0.062 0.000 1.117 117 T HN 0.111 nan 8.240 nan 0.000 0.533 118 S N 0.027 115.770 115.700 0.072 0.000 2.585 118 S HA 0.214 4.685 4.470 0.001 0.000 0.273 118 S C 1.490 176.119 174.600 0.048 0.000 1.339 118 S CA -0.133 58.113 58.200 0.076 0.000 1.028 118 S CB 0.200 63.468 63.200 0.113 0.000 0.906 118 S HN 0.963 nan 8.310 nan 0.000 0.528 119 S N 2.998 118.709 115.700 0.018 0.000 2.562 119 S HA 0.361 4.831 4.470 0.001 0.000 0.221 119 S C 1.322 175.884 174.600 -0.064 0.000 0.975 119 S CA 0.287 58.461 58.200 -0.044 0.000 0.918 119 S CB -1.308 61.843 63.200 -0.082 0.000 0.772 119 S HN 1.776 nan 8.310 nan 0.000 0.531 120 G N 1.555 110.329 108.800 -0.043 0.000 2.601 120 G HA2 -0.316 3.644 3.960 0.001 0.000 0.252 120 G HA3 -0.316 3.644 3.960 0.001 0.000 0.252 120 G C -0.275 174.332 174.900 -0.489 0.000 1.294 120 G CA 0.134 45.175 45.100 -0.097 0.000 0.912 120 G HN 0.952 nan 8.290 nan 0.000 0.574 121 H N 2.461 121.245 119.070 -0.477 0.000 3.001 121 H HA 0.375 4.931 4.556 0.001 0.000 0.334 121 H C -0.855 174.242 175.328 -0.385 0.000 1.034 121 H CA 0.028 55.775 56.048 -0.503 0.000 1.420 121 H CB 1.298 30.946 29.762 -0.189 0.000 1.405 121 H HN 0.281 nan 8.280 nan 0.000 0.593 122 P HA 0.077 nan 4.420 nan 0.000 0.275 122 P C 0.123 176.973 177.300 -0.749 0.000 1.310 122 P CA 0.648 63.038 63.100 -1.184 0.000 0.904 122 P CB 0.463 31.419 31.700 -1.241 0.000 1.381 123 H N -1.274 117.562 119.070 -0.391 0.000 2.525 123 H HA 0.113 4.669 4.556 0.001 0.000 0.275 123 H C 0.035 175.325 175.328 -0.063 0.000 0.984 123 H CA 0.284 56.228 56.048 -0.173 0.000 1.264 123 H CB -0.838 28.846 29.762 -0.131 0.000 1.432 123 H HN 0.189 nan 8.280 nan 0.000 0.549 124 H N -0.690 118.405 119.070 0.043 0.000 2.557 124 H HA -0.170 4.386 4.556 0.001 0.000 0.319 124 H C -0.600 174.756 175.328 0.047 0.000 1.102 124 H CA 0.443 56.512 56.048 0.036 0.000 1.126 124 H CB -1.751 28.022 29.762 0.019 0.000 1.498 124 H HN 0.374 nan 8.280 nan 0.000 0.411 125 M N -0.005 119.662 119.600 0.110 0.000 2.436 125 M HA 0.295 4.776 4.480 0.001 0.000 0.331 125 M C 0.733 177.077 176.300 0.073 0.000 1.135 125 M CA -0.718 54.634 55.300 0.087 0.000 0.987 125 M CB 1.784 34.421 32.600 0.062 0.000 1.687 125 M HN 0.233 nan 8.290 nan 0.000 0.445 126 R N 1.675 122.221 120.500 0.077 0.000 2.502 126 R HA -0.030 4.310 4.340 0.001 0.000 0.292 126 R C 0.695 177.051 176.300 0.093 0.000 0.998 126 R CA 0.708 56.854 56.100 0.076 0.000 1.056 126 R CB 0.473 30.817 30.300 0.073 0.000 0.939 126 R HN 0.614 nan 8.270 nan 0.000 0.411 127 K N 2.476 122.933 120.400 0.094 0.000 2.103 127 K HA -0.221 4.099 4.320 0.001 0.000 0.207 127 K C 1.468 178.201 176.600 0.222 0.000 1.048 127 K CA 1.944 58.331 56.287 0.166 0.000 0.930 127 K CB -0.066 32.525 32.500 0.152 0.000 0.716 127 K HN 0.527 nan 8.250 nan 0.000 0.444 128 N N 1.038 119.816 118.700 0.130 0.000 2.309 128 N HA -0.138 4.602 4.740 0.001 0.000 0.182 128 N C 0.912 176.547 175.510 0.208 0.000 1.018 128 N CA 1.230 54.376 53.050 0.161 0.000 0.876 128 N CB 0.045 38.589 38.487 0.094 0.000 0.972 128 N HN 0.108 nan 8.380 nan 0.000 0.434 129 D N -0.972 119.525 120.400 0.162 0.000 2.178 129 D HA -0.052 4.589 4.640 0.001 0.000 0.201 129 D C 0.545 176.939 176.300 0.156 0.000 0.980 129 D CA 0.843 54.923 54.000 0.133 0.000 0.842 129 D CB -0.182 40.677 40.800 0.098 0.000 0.948 129 D HN 0.348 nan 8.370 nan 0.000 0.472 130 C N 0.323 119.757 119.300 0.224 0.000 2.548 130 C HA 0.251 4.711 4.460 0.001 0.000 0.297 130 C C 0.015 175.234 174.990 0.381 0.000 1.422 130 C CA -1.286 57.879 59.018 0.244 0.000 1.785 130 C CB -0.951 26.911 27.740 0.204 0.000 2.593 130 C HN 0.293 nan 8.230 nan 0.000 0.545 131 W N 3.566 124.916 121.300 0.084 0.000 2.417 131 W HA 0.288 4.948 4.660 0.001 0.000 0.315 131 W C 0.098 176.592 176.519 -0.041 0.000 1.045 131 W CA -0.222 57.110 57.345 -0.022 0.000 1.221 131 W CB 0.856 30.282 29.460 -0.057 0.000 1.309 131 W HN 0.441 nan 8.180 nan 0.000 0.453 132 N N 4.126 122.513 118.700 -0.522 0.000 2.230 132 N HA 0.138 4.878 4.740 0.001 0.000 0.202 132 N C 0.892 176.035 175.510 -0.612 0.000 1.119 132 N CA 0.874 53.664 53.050 -0.433 0.000 0.851 132 N CB 0.836 39.153 38.487 -0.283 0.000 0.990 132 N HN 0.766 nan 8.380 nan 0.000 0.497 133 G N 1.759 109.847 108.800 -1.187 0.000 2.612 133 G HA2 -0.283 3.678 3.960 0.001 0.000 0.200 133 G HA3 -0.283 3.678 3.960 0.001 0.000 0.200 133 G C 0.722 175.054 174.900 -0.946 0.000 1.053 133 G CA 0.437 45.038 45.100 -0.832 0.000 0.707 133 G HN 0.541 nan 8.290 nan 0.000 0.497 134 E N -0.151 119.406 120.200 -1.072 0.000 2.536 134 E HA 0.476 4.826 4.350 0.001 0.000 0.220 134 E C 0.650 176.744 176.600 -0.843 0.000 0.876 134 E CA 0.981 56.937 56.400 -0.740 0.000 1.190 134 E CB 0.744 30.228 29.700 -0.360 0.000 1.191 134 E HN 1.037 nan 8.360 nan 0.000 0.557 135 S N -0.333 114.719 115.700 -1.081 0.000 2.579 135 S HA 0.600 5.070 4.470 0.001 0.000 0.272 135 S C -0.711 173.637 174.600 -0.419 0.000 1.141 135 S CA -1.046 56.816 58.200 -0.564 0.000 0.843 135 S CB 0.497 63.576 63.200 -0.202 0.000 1.122 135 S HN 0.060 nan 8.310 nan 0.000 0.468 136 F N 1.114 121.170 119.950 0.178 0.000 2.459 136 F HA 0.474 5.001 4.527 0.001 0.000 0.346 136 F C 2.002 177.855 175.800 0.088 0.000 1.128 136 F CA -0.022 58.113 58.000 0.224 0.000 1.268 136 F CB 1.105 40.246 39.000 0.235 0.000 1.161 136 F HN 0.850 nan 8.300 nan 0.000 0.583 137 T N -0.191 114.518 114.554 0.259 0.000 2.978 137 T HA 0.339 4.689 4.350 0.001 0.000 0.248 137 T C 0.977 175.725 174.700 0.079 0.000 1.018 137 T CA 0.724 62.891 62.100 0.111 0.000 1.026 137 T CB -0.223 68.677 68.868 0.053 0.000 1.032 137 T HN 0.735 nan 8.240 nan 0.000 0.485 138 G N 0.620 109.463 108.800 0.072 0.000 3.054 138 G HA2 0.291 4.252 3.960 0.001 0.000 0.201 138 G HA3 0.291 4.252 3.960 0.001 0.000 0.201 138 G C 0.714 175.589 174.900 -0.041 0.000 1.694 138 G CA -0.101 45.005 45.100 0.009 0.000 0.742 138 G HN 0.229 nan 8.290 nan 0.000 0.790 139 K N 0.143 120.456 120.400 -0.145 0.000 2.211 139 K HA 0.169 4.490 4.320 0.001 0.000 0.203 139 K C 2.417 178.827 176.600 -0.317 0.000 1.050 139 K CA 0.515 56.608 56.287 -0.323 0.000 0.945 139 K CB -0.180 31.911 32.500 -0.682 0.000 0.732 139 K HN 0.173 nan 8.250 nan 0.000 0.451 140 L N 0.243 121.343 121.223 -0.204 0.000 2.156 140 L HA -0.096 4.244 4.340 0.001 0.000 0.208 140 L C 2.532 179.382 176.870 -0.035 0.000 1.095 140 L CA 0.789 55.522 54.840 -0.179 0.000 0.770 140 L CB -0.624 41.327 42.059 -0.181 0.000 0.914 140 L HN 0.185 nan 8.230 nan 0.000 0.439 141 A N 0.005 122.897 122.820 0.119 0.000 1.902 141 A HA -0.216 4.105 4.320 0.001 0.000 0.217 141 A C 1.961 179.625 177.584 0.133 0.000 1.181 141 A CA 1.738 53.906 52.037 0.219 0.000 0.623 141 A CB -0.414 18.697 19.000 0.186 0.000 0.818 141 A HN 0.358 nan 8.150 nan 0.000 0.443 142 D N -0.920 119.510 120.400 0.050 0.000 2.097 142 D HA -0.181 4.459 4.640 0.001 0.000 0.195 142 D C 2.102 178.428 176.300 0.044 0.000 0.989 142 D CA 1.634 55.655 54.000 0.035 0.000 0.827 142 D CB -0.272 40.538 40.800 0.015 0.000 0.966 142 D HN 0.662 nan 8.370 nan 0.000 0.456 143 Q N 0.357 120.183 119.800 0.044 0.000 2.079 143 Q HA -0.111 4.229 4.340 0.001 0.000 0.200 143 Q C 2.044 178.073 176.000 0.048 0.000 0.974 143 Q CA 1.364 57.197 55.803 0.051 0.000 0.840 143 Q CB 0.038 28.815 28.738 0.065 0.000 0.898 143 Q HN 0.163 nan 8.270 nan 0.000 0.430 144 A N -0.228 122.640 122.820 0.080 0.000 1.929 144 A HA -0.102 4.219 4.320 0.001 0.000 0.216 144 A C 2.213 179.911 177.584 0.190 0.000 1.176 144 A CA 1.482 53.652 52.037 0.222 0.000 0.628 144 A CB -0.413 18.830 19.000 0.406 0.000 0.816 144 A HN 0.377 nan 8.150 nan 0.000 0.444 145 S N -0.051 115.689 115.700 0.066 0.000 2.356 145 S HA -0.162 4.309 4.470 0.001 0.000 0.223 145 S C 2.012 176.524 174.600 -0.147 0.000 1.032 145 S CA 1.785 59.858 58.200 -0.210 0.000 1.005 145 S CB -0.254 62.879 63.200 -0.111 0.000 0.867 145 S HN 0.651 nan 8.310 nan 0.000 0.449 146 K N 2.263 122.638 120.400 -0.042 0.000 2.032 146 K HA -0.023 4.298 4.320 0.001 0.000 0.209 146 K C 2.011 178.609 176.600 -0.005 0.000 1.048 146 K CA 1.551 57.826 56.287 -0.020 0.000 0.927 146 K CB -0.711 31.792 32.500 0.006 0.000 0.712 146 K HN 0.236 nan 8.250 nan 0.000 0.441 147 A N 0.514 123.348 122.820 0.023 0.000 1.933 147 A HA -0.200 4.120 4.320 0.001 0.000 0.218 147 A C 2.066 179.697 177.584 0.078 0.000 1.175 147 A CA 1.995 54.066 52.037 0.057 0.000 0.628 147 A CB -0.983 18.063 19.000 0.076 0.000 0.814 147 A HN 0.601 nan 8.150 nan 0.000 0.444 148 N N 0.034 118.747 118.700 0.021 0.000 2.084 148 N HA -0.099 4.641 4.740 0.001 0.000 0.190 148 N C 1.566 177.103 175.510 0.044 0.000 1.030 148 N CA 1.710 54.763 53.050 0.005 0.000 0.849 148 N CB -0.359 37.914 38.487 -0.357 0.000 1.012 148 N HN 0.468 nan 8.380 nan 0.000 0.423 149 L N -0.367 120.834 121.223 -0.036 0.000 2.046 149 L HA -0.135 4.205 4.340 0.001 0.000 0.208 149 L C 2.317 179.196 176.870 0.016 0.000 1.077 149 L CA 0.775 55.605 54.840 -0.016 0.000 0.747 149 L CB -0.463 41.570 42.059 -0.043 0.000 0.896 149 L HN 0.303 nan 8.230 nan 0.000 0.432 150 M N -0.836 118.783 119.600 0.031 0.000 2.159 150 M HA -0.233 4.248 4.480 0.001 0.000 0.263 150 M C 2.391 178.714 176.300 0.038 0.000 1.063 150 M CA 1.785 57.101 55.300 0.028 0.000 1.110 150 M CB -1.136 31.486 32.600 0.037 0.000 1.374 150 M HN 0.206 nan 8.290 nan 0.000 0.411 151 F N 1.590 121.514 119.950 -0.043 0.000 2.134 151 F HA -0.172 4.356 4.527 0.001 0.000 0.299 151 F C 2.171 177.927 175.800 -0.073 0.000 1.097 151 F CA 1.683 59.647 58.000 -0.059 0.000 1.264 151 F CB -0.194 38.782 39.000 -0.040 0.000 1.001 151 F HN 0.229 nan 8.300 nan 0.000 0.479 152 E N 0.039 120.215 120.200 -0.039 0.000 2.072 152 E HA -0.128 4.222 4.350 0.001 0.000 0.191 152 E C 0.737 177.236 176.600 -0.168 0.000 0.985 152 E CA 0.878 57.208 56.400 -0.117 0.000 0.801 152 E CB -0.199 29.518 29.700 0.029 0.000 0.750 152 E HN 0.559 nan 8.360 nan 0.000 0.452 153 E N -0.215 119.918 120.200 -0.111 0.000 2.376 153 E HA 0.170 4.520 4.350 0.001 0.000 0.254 153 E C 0.450 176.960 176.600 -0.150 0.000 1.213 153 E CA -0.116 56.225 56.400 -0.098 0.000 0.945 153 E CB 0.620 30.289 29.700 -0.053 0.000 1.057 153 E HN 0.133 nan 8.360 nan 0.000 0.479 154 G N 1.426 110.159 108.800 -0.112 0.000 3.639 154 G HA2 0.015 3.975 3.960 0.001 0.000 0.279 154 G HA3 0.015 3.975 3.960 0.001 0.000 0.279 154 G C -0.071 174.778 174.900 -0.084 0.000 1.312 154 G CA -0.235 44.789 45.100 -0.126 0.000 1.355 154 G HN 0.006 nan 8.290 nan 0.000 0.595 155 K N 0.826 121.184 120.400 -0.070 0.000 2.183 155 K HA 0.240 4.560 4.320 0.001 0.000 0.274 155 K C -0.086 176.503 176.600 -0.018 0.000 1.009 155 K CA -0.743 55.523 56.287 -0.034 0.000 0.888 155 K CB 1.475 33.961 32.500 -0.022 0.000 1.078 155 K HN 0.161 nan 8.250 nan 0.000 0.459 156 N N 1.730 120.424 118.700 -0.009 0.000 2.518 156 N HA 0.234 4.974 4.740 0.001 0.000 0.266 156 N C -0.283 175.235 175.510 0.012 0.000 1.196 156 N CA 0.368 53.420 53.050 0.004 0.000 0.947 156 N CB 0.555 39.046 38.487 0.007 0.000 1.098 156 N HN 0.288 nan 8.380 nan 0.000 0.450 157 M N 0.819 120.431 119.600 0.020 0.000 2.326 157 M HA 0.220 4.700 4.480 0.001 0.000 0.292 157 M C -0.993 175.317 176.300 0.016 0.000 1.081 157 M CA -0.668 54.643 55.300 0.019 0.000 0.919 157 M CB 2.189 34.803 32.600 0.024 0.000 1.634 157 M HN 0.406 nan 8.290 nan 0.000 0.451 158 T N 4.215 118.775 114.554 0.009 0.000 2.752 158 T HA 0.303 4.653 4.350 0.001 0.000 0.295 158 T C -2.392 172.289 174.700 -0.032 0.000 0.923 158 T CA -0.868 61.234 62.100 0.003 0.000 1.112 158 T CB -0.065 68.803 68.868 0.000 0.000 0.884 158 T HN 0.294 nan 8.240 nan 0.000 0.525 159 P HA 0.255 nan 4.420 nan 0.000 0.271 159 P C -1.003 176.158 177.300 -0.233 0.000 1.216 159 P CA -0.370 62.616 63.100 -0.191 0.000 0.771 159 P CB 0.514 32.066 31.700 -0.246 0.000 0.864 160 V N 4.659 124.396 119.914 -0.294 0.000 2.407 160 V HA 0.286 4.407 4.120 0.001 0.000 0.291 160 V C -0.470 175.487 176.094 -0.229 0.000 1.018 160 V CA -0.594 61.556 62.300 -0.250 0.000 0.842 160 V CB 0.259 31.821 31.823 -0.435 0.000 0.996 160 V HN 0.402 nan 8.190 nan 0.000 0.426 161 Y N 1.708 122.051 120.300 0.071 0.000 2.335 161 Y HA 0.527 5.077 4.550 0.001 0.000 0.323 161 Y C 1.024 176.959 175.900 0.059 0.000 1.224 161 Y CA -0.432 57.744 58.100 0.126 0.000 1.241 161 Y CB 1.426 40.050 38.460 0.274 0.000 1.235 161 Y HN 0.474 nan 8.280 nan 0.000 0.492 162 T N 2.063 116.760 114.554 0.237 0.000 2.788 162 T HA 0.370 4.720 4.350 0.001 0.000 0.296 162 T C 0.266 174.989 174.700 0.040 0.000 1.009 162 T CA -0.857 61.329 62.100 0.142 0.000 0.949 162 T CB 0.517 69.516 68.868 0.218 0.000 0.946 162 T HN 0.922 nan 8.240 nan 0.000 0.453 163 G N 2.239 110.986 108.800 -0.088 0.000 2.343 163 G HA2 0.534 4.494 3.960 0.001 0.000 0.254 163 G HA3 0.534 4.494 3.960 0.001 0.000 0.254 163 G C -0.198 174.640 174.900 -0.104 0.000 1.277 163 G CA -0.309 44.669 45.100 -0.203 0.000 0.909 163 G HN 0.936 nan 8.290 nan 0.000 0.502 164 A N 2.144 124.913 122.820 -0.086 0.000 2.530 164 A HA 0.863 5.183 4.320 0.001 0.000 0.288 164 A C -0.834 176.735 177.584 -0.025 0.000 1.172 164 A CA -0.758 51.260 52.037 -0.031 0.000 0.733 164 A CB 1.348 20.358 19.000 0.017 0.000 1.320 164 A HN 0.694 nan 8.150 nan 0.000 0.419 165 L N 0.731 121.953 121.223 -0.002 0.000 2.362 165 L HA 0.468 4.808 4.340 0.001 0.000 0.275 165 L C 0.049 176.936 176.870 0.030 0.000 0.998 165 L CA -0.659 54.188 54.840 0.012 0.000 0.820 165 L CB 1.994 44.058 42.059 0.007 0.000 1.270 165 L HN 0.810 nan 8.230 nan 0.000 0.415 166 K N 2.094 122.521 120.400 0.046 0.000 2.402 166 K HA 0.008 4.329 4.320 0.001 0.000 0.285 166 K C -0.394 176.235 176.600 0.049 0.000 1.054 166 K CA -0.309 56.014 56.287 0.061 0.000 1.001 166 K CB 0.416 32.961 32.500 0.076 0.000 0.946 166 K HN 0.416 nan 8.250 nan 0.000 0.473 167 D N 5.138 125.583 120.400 0.074 0.000 2.344 167 D HA 0.026 4.666 4.640 0.001 0.000 0.253 167 D C -0.783 175.632 176.300 0.192 0.000 1.255 167 D CA 0.204 54.265 54.000 0.102 0.000 0.894 167 D CB 0.372 41.245 40.800 0.123 0.000 1.067 167 D HN 0.645 nan 8.370 nan 0.000 0.492 168 E N 2.341 122.557 120.200 0.028 0.000 2.429 168 E HA 0.278 4.628 4.350 0.001 0.000 0.280 168 E C -1.141 175.179 176.600 -0.467 0.000 1.068 168 E CA -0.977 55.354 56.400 -0.114 0.000 0.837 168 E CB 0.342 30.043 29.700 0.002 0.000 1.357 168 E HN 0.228 nan 8.360 nan 0.000 0.455 169 L N 1.716 122.571 121.223 -0.612 0.000 2.367 169 L HA 0.477 4.818 4.340 0.001 0.000 0.275 169 L C 0.030 176.805 176.870 -0.159 0.000 1.129 169 L CA -0.634 53.905 54.840 -0.502 0.000 0.839 169 L CB 0.936 42.725 42.059 -0.450 0.000 1.133 169 L HN 0.506 nan 8.230 nan 0.000 0.453 170 V N 0.508 120.251 119.914 -0.284 0.000 3.078 170 V HA 0.501 4.621 4.120 0.001 0.000 0.311 170 V C -0.459 175.104 176.094 -0.885 0.000 1.138 170 V CA -1.402 60.610 62.300 -0.480 0.000 1.007 170 V CB 1.767 33.407 31.823 -0.305 0.000 1.045 170 V HN 0.779 nan 8.190 nan 0.000 0.432 171 K N 0.392 120.052 120.400 -1.234 0.000 2.485 171 K HA 0.159 4.480 4.320 0.001 0.000 0.277 171 K C 1.114 177.515 176.600 -0.331 0.000 0.990 171 K CA 0.577 56.343 56.287 -0.868 0.000 0.994 171 K CB 0.703 32.881 32.500 -0.537 0.000 0.906 171 K HN 1.010 nan 8.250 nan 0.000 0.488 172 T N -1.226 113.259 114.554 -0.114 0.000 2.881 172 T HA -0.222 4.128 4.350 0.001 0.000 0.270 172 T C 1.389 176.146 174.700 0.095 0.000 1.068 172 T CA 1.584 63.735 62.100 0.084 0.000 1.131 172 T CB -0.377 68.629 68.868 0.231 0.000 0.871 172 T HN 0.820 nan 8.240 nan 0.000 0.479 173 D N 1.251 121.659 120.400 0.014 0.000 2.263 173 D HA -0.045 4.596 4.640 0.001 0.000 0.208 173 D C 2.000 178.260 176.300 -0.068 0.000 0.971 173 D CA 0.810 54.810 54.000 -0.000 0.000 0.867 173 D CB -0.176 40.613 40.800 -0.018 0.000 0.929 173 D HN 0.446 nan 8.370 nan 0.000 0.492 174 K N -0.848 119.479 120.400 -0.122 0.000 2.525 174 K HA 0.072 4.393 4.320 0.001 0.000 0.192 174 K C 1.140 177.622 176.600 -0.197 0.000 1.029 174 K CA 0.374 56.570 56.287 -0.151 0.000 1.029 174 K CB 0.418 32.822 32.500 -0.160 0.000 0.814 174 K HN 0.311 nan 8.250 nan 0.000 0.503 175 I N -1.951 118.473 120.570 -0.244 0.000 3.366 175 I HA -0.067 4.103 4.170 0.001 0.000 0.267 175 I C 0.865 176.703 176.117 -0.466 0.000 1.149 175 I CA 0.279 61.325 61.300 -0.423 0.000 1.436 175 I CB 0.279 37.876 38.000 -0.672 0.000 1.379 175 I HN -0.017 nan 8.210 nan 0.000 0.460 176 Y N 0.860 121.124 120.300 -0.061 0.000 2.457 176 Y HA 0.424 4.974 4.550 0.001 0.000 0.263 176 Y C 1.490 177.354 175.900 -0.060 0.000 1.164 176 Y CA -0.040 58.030 58.100 -0.049 0.000 1.274 176 Y CB -0.170 38.274 38.460 -0.027 0.000 1.097 176 Y HN 0.034 nan 8.280 nan 0.000 0.523 177 G N 0.097 108.912 108.800 0.024 0.000 3.410 177 G HA2 0.208 4.168 3.960 0.001 0.000 0.189 177 G HA3 0.208 4.168 3.960 0.001 0.000 0.189 177 G C -0.829 174.030 174.900 -0.068 0.000 1.404 177 G CA -0.689 44.404 45.100 -0.011 0.000 0.898 177 G HN -0.050 nan 8.290 nan 0.000 0.650 178 K N 0.935 121.292 120.400 -0.071 0.000 2.338 178 K HA 0.297 4.617 4.320 0.001 0.000 0.290 178 K C -0.145 176.376 176.600 -0.131 0.000 1.069 178 K CA -0.108 56.122 56.287 -0.094 0.000 0.941 178 K CB -0.458 32.000 32.500 -0.069 0.000 1.023 178 K HN 0.200 nan 8.250 nan 0.000 0.477 179 I N 5.015 125.468 120.570 -0.195 0.000 2.618 179 I HA 0.052 4.222 4.170 0.001 0.000 0.284 179 I C 0.290 176.300 176.117 -0.178 0.000 1.146 179 I CA 0.513 61.654 61.300 -0.264 0.000 1.425 179 I CB 0.487 38.179 38.000 -0.514 0.000 1.383 179 I HN 0.529 nan 8.210 nan 0.000 0.562 180 K N 6.245 126.563 120.400 -0.135 0.000 2.498 180 K HA 0.621 4.941 4.320 0.001 0.000 0.254 180 K C -1.065 175.507 176.600 -0.047 0.000 0.933 180 K CA -1.093 55.148 56.287 -0.075 0.000 0.806 180 K CB 2.760 35.223 32.500 -0.061 0.000 1.301 180 K HN 0.355 nan 8.250 nan 0.000 0.432 181 K N 1.874 122.269 120.400 -0.010 0.000 2.525 181 K HA 0.320 4.641 4.320 0.001 0.000 0.254 181 K C -1.155 175.461 176.600 0.027 0.000 0.934 181 K CA -0.733 55.559 56.287 0.008 0.000 0.802 181 K CB 1.765 34.285 32.500 0.035 0.000 1.295 181 K HN 0.471 nan 8.250 nan 0.000 0.433 182 R N 2.233 122.755 120.500 0.036 0.000 2.490 182 R HA 0.173 4.514 4.340 0.001 0.000 0.280 182 R C -0.284 176.064 176.300 0.080 0.000 1.077 182 R CA -0.695 55.448 56.100 0.071 0.000 1.065 182 R CB 0.447 30.797 30.300 0.083 0.000 1.003 182 R HN 0.355 nan 8.270 nan 0.000 0.470 183 L N 4.505 125.795 121.223 0.112 0.000 2.319 183 L HA 0.277 4.617 4.340 0.001 0.000 0.280 183 L C -1.027 175.926 176.870 0.138 0.000 1.099 183 L CA 0.372 55.253 54.840 0.068 0.000 0.828 183 L CB 0.550 42.639 42.059 0.050 0.000 1.150 183 L HN 0.445 nan 8.230 nan 0.000 0.442 184 L N 4.530 125.794 121.223 0.069 0.000 2.334 184 L HA 0.431 4.771 4.340 0.001 0.000 0.273 184 L C -1.253 175.675 176.870 0.097 0.000 1.013 184 L CA -0.509 54.436 54.840 0.175 0.000 0.816 184 L CB 1.639 43.782 42.059 0.140 0.000 1.278 184 L HN 0.621 nan 8.230 nan 0.000 0.431 185 W N 1.322 122.635 121.300 0.022 0.000 2.347 185 W HA 0.487 5.147 4.660 0.001 0.000 0.321 185 W C 0.532 177.165 176.519 0.189 0.000 0.971 185 W CA -0.917 56.447 57.345 0.031 0.000 1.508 185 W CB 1.242 30.590 29.460 -0.185 0.000 1.299 185 W HN 0.451 nan 8.180 nan 0.000 0.399 186 G N 2.590 111.586 108.800 0.326 0.000 2.396 186 G HA2 0.335 4.295 3.960 0.001 0.000 0.292 186 G HA3 0.335 4.295 3.960 0.001 0.000 0.292 186 G C 0.440 175.527 174.900 0.312 0.000 1.106 186 G CA -0.400 44.865 45.100 0.275 0.000 1.055 186 G HN 0.352 nan 8.290 nan 0.000 0.424 187 S N 2.339 118.224 115.700 0.309 0.000 2.589 187 S HA 0.234 4.704 4.470 0.001 0.000 0.265 187 S C 0.317 174.934 174.600 0.030 0.000 1.342 187 S CA -0.629 57.654 58.200 0.139 0.000 1.005 187 S CB 1.268 64.562 63.200 0.156 0.000 0.909 187 S HN 0.733 nan 8.310 nan 0.000 0.555 188 D N 0.557 120.911 120.400 -0.076 0.000 2.312 188 D HA 0.084 4.724 4.640 0.001 0.000 0.248 188 D C 1.157 177.433 176.300 -0.041 0.000 1.086 188 D CA -0.793 53.175 54.000 -0.053 0.000 0.948 188 D CB 1.100 41.867 40.800 -0.055 0.000 1.162 188 D HN 0.450 nan 8.370 nan 0.000 0.446 189 L N 2.439 123.628 121.223 -0.057 0.000 2.042 189 L HA -0.139 4.201 4.340 0.001 0.000 0.210 189 L C 2.370 179.221 176.870 -0.031 0.000 1.076 189 L CA 2.440 57.236 54.840 -0.074 0.000 0.749 189 L CB -0.946 41.012 42.059 -0.168 0.000 0.893 189 L HN 0.666 nan 8.230 nan 0.000 0.432 190 A N -1.401 121.408 122.820 -0.018 0.000 1.883 190 A HA -0.242 4.078 4.320 0.001 0.000 0.217 190 A C 2.287 179.886 177.584 0.025 0.000 1.186 190 A CA 2.513 54.559 52.037 0.016 0.000 0.624 190 A CB -1.342 17.666 19.000 0.014 0.000 0.822 190 A HN 0.524 nan 8.150 nan 0.000 0.444 191 T N -0.016 114.538 114.554 0.001 0.000 2.788 191 T HA -0.167 4.183 4.350 0.001 0.000 0.268 191 T C 1.929 176.655 174.700 0.043 0.000 1.044 191 T CA 1.806 63.912 62.100 0.010 0.000 1.139 191 T CB -0.330 68.510 68.868 -0.048 0.000 0.867 191 T HN 0.445 nan 8.240 nan 0.000 0.454 192 M N 0.552 120.179 119.600 0.045 0.000 2.065 192 M HA -0.065 4.415 4.480 0.001 0.000 0.259 192 M C 2.386 178.734 176.300 0.079 0.000 1.069 192 M CA 1.739 57.083 55.300 0.073 0.000 1.110 192 M CB -0.592 32.048 32.600 0.067 0.000 1.328 192 M HN 0.382 nan 8.290 nan 0.000 0.405 193 I N -1.315 119.307 120.570 0.085 0.000 2.315 193 I HA -0.177 3.993 4.170 0.001 0.000 0.248 193 I C 2.287 178.404 176.117 0.000 0.000 1.117 193 I CA 1.539 62.903 61.300 0.106 0.000 1.404 193 I CB -0.491 37.639 38.000 0.216 0.000 1.071 193 I HN 0.093 nan 8.210 nan 0.000 0.419 194 R N 0.430 120.924 120.500 -0.010 0.000 2.081 194 R HA -0.123 4.217 4.340 0.001 0.000 0.235 194 R C 2.348 178.549 176.300 -0.164 0.000 1.131 194 R CA 1.976 58.026 56.100 -0.085 0.000 0.960 194 R CB -0.897 29.434 30.300 0.051 0.000 0.856 194 R HN 0.492 nan 8.270 nan 0.000 0.436 195 C N -0.177 119.102 119.300 -0.035 0.000 2.435 195 C HA 0.010 4.471 4.460 0.001 0.000 0.279 195 C C 2.879 177.834 174.990 -0.058 0.000 1.321 195 C CA 0.519 59.555 59.018 0.030 0.000 1.752 195 C CB -0.863 26.974 27.740 0.162 0.000 1.959 195 C HN 0.567 nan 8.230 nan 0.000 0.500 196 A N 0.581 123.372 122.820 -0.048 0.000 1.877 196 A HA -0.184 4.136 4.320 0.001 0.000 0.216 196 A C 2.291 179.768 177.584 -0.179 0.000 1.186 196 A CA 1.374 53.396 52.037 -0.025 0.000 0.620 196 A CB -0.521 18.598 19.000 0.199 0.000 0.822 196 A HN 0.626 nan 8.150 nan 0.000 0.443 197 R N -0.875 119.451 120.500 -0.289 0.000 2.090 197 R HA -0.018 4.323 4.340 0.001 0.000 0.228 197 R C 2.460 178.390 176.300 -0.618 0.000 1.110 197 R CA 1.056 56.850 56.100 -0.511 0.000 0.973 197 R CB -0.339 29.308 30.300 -1.088 0.000 0.869 197 R HN 0.534 nan 8.270 nan 0.000 0.440 198 A N 0.139 122.554 122.820 -0.674 0.000 1.872 198 A HA -0.084 4.237 4.320 0.001 0.000 0.214 198 A C 1.327 178.461 177.584 -0.750 0.000 1.187 198 A CA 1.182 52.836 52.037 -0.638 0.000 0.614 198 A CB -0.125 18.286 19.000 -0.981 0.000 0.826 198 A HN 0.249 nan 8.150 nan 0.000 0.442 199 F N -1.126 118.683 119.950 -0.235 0.000 2.728 199 F HA 0.283 4.810 4.527 0.001 0.000 0.314 199 F C 2.256 177.780 175.800 -0.460 0.000 1.094 199 F CA -0.383 57.462 58.000 -0.259 0.000 1.217 199 F CB -0.634 38.259 39.000 -0.179 0.000 1.056 199 F HN 0.212 nan 8.300 nan 0.000 0.577 200 G N 0.913 109.287 108.800 -0.709 0.000 2.491 200 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 200 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 200 G C 2.045 176.170 174.900 -1.292 0.000 1.180 200 G CA 1.173 45.354 45.100 -1.532 0.000 0.774 200 G HN 0.467 nan 8.290 nan 0.000 0.562 201 G N 0.618 108.692 108.800 -1.210 0.000 2.440 201 G HA2 -0.147 3.813 3.960 0.001 0.000 0.218 201 G HA3 -0.147 3.813 3.960 0.001 0.000 0.218 201 G C 1.761 176.591 174.900 -0.116 0.000 1.154 201 G CA 1.115 45.974 45.100 -0.401 0.000 0.767 201 G HN 0.437 nan 8.290 nan 0.000 0.552 202 L N 0.336 121.501 121.223 -0.097 0.000 2.046 202 L HA 0.015 4.356 4.340 0.001 0.000 0.208 202 L C 2.683 179.561 176.870 0.014 0.000 1.077 202 L CA 1.619 56.476 54.840 0.027 0.000 0.747 202 L CB -0.382 41.743 42.059 0.110 0.000 0.896 202 L HN 0.086 nan 8.230 nan 0.000 0.432 203 M N -0.711 118.866 119.600 -0.038 0.000 2.108 203 M HA -0.201 4.279 4.480 0.001 0.000 0.261 203 M C 2.006 178.323 176.300 0.028 0.000 1.066 203 M CA 1.472 56.764 55.300 -0.013 0.000 1.107 203 M CB -1.561 31.019 32.600 -0.034 0.000 1.356 203 M HN 0.262 nan 8.290 nan 0.000 0.406 204 D N 0.161 120.591 120.400 0.049 0.000 2.084 204 D HA -0.179 4.462 4.640 0.001 0.000 0.194 204 D C 1.999 178.347 176.300 0.080 0.000 0.990 204 D CA 1.405 55.470 54.000 0.109 0.000 0.826 204 D CB -0.219 40.706 40.800 0.207 0.000 0.971 204 D HN 0.352 nan 8.370 nan 0.000 0.453 205 E N 0.522 120.775 120.200 0.089 0.000 2.077 205 E HA -0.112 4.239 4.350 0.001 0.000 0.193 205 E C 2.237 178.921 176.600 0.139 0.000 0.989 205 E CA 0.731 57.200 56.400 0.115 0.000 0.800 205 E CB -0.387 29.399 29.700 0.144 0.000 0.746 205 E HN 0.257 nan 8.360 nan 0.000 0.452 206 L N 0.059 121.342 121.223 0.101 0.000 2.046 206 L HA -0.157 4.184 4.340 0.001 0.000 0.208 206 L C 2.635 179.543 176.870 0.065 0.000 1.077 206 L CA 1.514 56.410 54.840 0.093 0.000 0.747 206 L CB -0.389 41.700 42.059 0.050 0.000 0.896 206 L HN 0.119 nan 8.230 nan 0.000 0.432 207 K N -0.325 120.095 120.400 0.035 0.000 2.057 207 K HA -0.163 4.158 4.320 0.001 0.000 0.207 207 K C 2.009 178.594 176.600 -0.024 0.000 1.049 207 K CA 1.746 58.042 56.287 0.015 0.000 0.931 207 K CB -0.052 32.466 32.500 0.030 0.000 0.714 207 K HN 0.167 nan 8.250 nan 0.000 0.440 208 T N 0.111 114.616 114.554 -0.080 0.000 2.778 208 T HA -0.141 4.209 4.350 0.001 0.000 0.269 208 T C 0.803 175.286 174.700 -0.363 0.000 1.050 208 T CA 1.197 63.153 62.100 -0.240 0.000 1.137 208 T CB -0.197 68.463 68.868 -0.346 0.000 0.860 208 T HN 0.326 nan 8.240 nan 0.000 0.468 209 H N -0.283 118.791 119.070 0.007 0.000 2.486 209 H HA 0.232 4.788 4.556 0.001 0.000 0.284 209 H C 2.033 177.347 175.328 -0.023 0.000 1.103 209 H CA -0.204 55.840 56.048 -0.007 0.000 1.089 209 H CB -0.553 29.206 29.762 -0.005 0.000 1.603 209 H HN 0.548 nan 8.280 nan 0.000 0.557 210 C N -1.365 117.959 119.300 0.041 0.000 2.437 210 C HA 0.028 4.489 4.460 0.001 0.000 0.283 210 C C 2.287 177.268 174.990 -0.014 0.000 1.424 210 C CA -0.140 58.886 59.018 0.012 0.000 1.782 210 C CB -1.324 26.424 27.740 0.014 0.000 1.833 210 C HN 0.202 nan 8.230 nan 0.000 0.532 211 V N 1.369 121.274 119.914 -0.015 0.000 2.719 211 V HA -0.093 4.028 4.120 0.001 0.000 0.252 211 V C 2.734 178.795 176.094 -0.055 0.000 1.065 211 V CA 2.435 64.709 62.300 -0.043 0.000 1.086 211 V CB -0.741 31.059 31.823 -0.038 0.000 0.700 211 V HN 0.674 nan 8.190 nan 0.000 0.467 212 T N -0.358 114.184 114.554 -0.020 0.000 2.953 212 T HA 0.262 4.613 4.350 0.001 0.000 0.247 212 T C 0.741 175.387 174.700 -0.090 0.000 1.029 212 T CA 0.378 62.456 62.100 -0.038 0.000 1.144 212 T CB 0.006 68.887 68.868 0.022 0.000 0.870 212 T HN 0.144 nan 8.240 nan 0.000 0.446 213 L N 1.562 122.742 121.223 -0.072 0.000 2.421 213 L HA 0.263 4.603 4.340 0.001 0.000 0.263 213 L C -1.575 175.133 176.870 -0.270 0.000 1.122 213 L CA -2.110 52.643 54.840 -0.145 0.000 0.804 213 L CB 0.602 42.632 42.059 -0.049 0.000 1.150 213 L HN -0.077 nan 8.230 nan 0.000 0.457 214 P HA -0.108 nan 4.420 nan 0.000 0.219 214 P C 0.219 177.346 177.300 -0.289 0.000 1.146 214 P CA 1.138 63.900 63.100 -0.563 0.000 0.808 214 P CB 0.097 31.185 31.700 -1.021 0.000 0.779 215 I N 0.566 121.025 120.570 -0.185 0.000 2.471 215 I HA 0.019 4.189 4.170 0.001 0.000 0.294 215 I C 1.426 177.519 176.117 -0.039 0.000 1.123 215 I CA 0.020 61.303 61.300 -0.030 0.000 1.336 215 I CB 0.348 38.368 38.000 0.032 0.000 1.430 215 I HN -0.173 nan 8.210 nan 0.000 0.533 216 R N 4.224 124.730 120.500 0.010 0.000 2.310 216 R HA 0.144 4.485 4.340 0.001 0.000 0.202 216 R C 0.166 176.495 176.300 0.049 0.000 0.933 216 R CA -0.054 56.104 56.100 0.096 0.000 1.054 216 R CB -0.520 29.982 30.300 0.338 0.000 0.985 216 R HN 0.360 nan 8.270 nan 0.000 0.489 217 V N 1.223 120.992 119.914 -0.241 0.000 2.584 217 V HA 0.095 4.216 4.120 0.001 0.000 0.303 217 V C 1.582 177.652 176.094 -0.039 0.000 1.035 217 V CA 1.491 63.556 62.300 -0.392 0.000 1.172 217 V CB 0.303 31.840 31.823 -0.476 0.000 0.896 217 V HN 0.735 nan 8.190 nan 0.000 0.486 218 G N 3.687 112.550 108.800 0.106 0.000 2.195 218 G HA2 -0.234 3.726 3.960 0.001 0.000 0.224 218 G HA3 -0.234 3.726 3.960 0.001 0.000 0.224 218 G C 0.182 175.142 174.900 0.100 0.000 0.990 218 G CA 0.078 45.238 45.100 0.100 0.000 0.639 218 G HN 0.979 nan 8.290 nan 0.000 0.514 219 M N 0.317 119.992 119.600 0.124 0.000 2.250 219 M HA 0.423 4.904 4.480 0.001 0.000 0.325 219 M C 0.075 176.417 176.300 0.070 0.000 1.084 219 M CA 0.155 55.506 55.300 0.084 0.000 1.161 219 M CB 0.504 33.163 32.600 0.098 0.000 1.481 219 M HN 0.119 nan 8.290 nan 0.000 0.449 220 N N 3.057 121.771 118.700 0.023 0.000 2.437 220 N HA 0.144 4.885 4.740 0.001 0.000 0.259 220 N C 0.103 175.592 175.510 -0.036 0.000 0.983 220 N CA -0.374 52.681 53.050 0.008 0.000 0.937 220 N CB 1.420 39.908 38.487 0.002 0.000 1.122 220 N HN 0.922 nan 8.380 nan 0.000 0.499 221 M N 4.654 124.233 119.600 -0.036 0.000 2.080 221 M HA -0.140 4.341 4.480 0.001 0.000 0.260 221 M C 1.051 177.280 176.300 -0.118 0.000 1.068 221 M CA 1.990 57.250 55.300 -0.067 0.000 1.109 221 M CB -0.727 31.843 32.600 -0.049 0.000 1.342 221 M HN 0.592 nan 8.290 nan 0.000 0.405 222 N N -0.470 118.137 118.700 -0.155 0.000 2.171 222 N HA -0.109 4.632 4.740 0.001 0.000 0.184 222 N C 1.636 177.048 175.510 -0.163 0.000 1.021 222 N CA 1.609 54.535 53.050 -0.206 0.000 0.854 222 N CB -0.055 38.253 38.487 -0.298 0.000 0.994 222 N HN 0.480 nan 8.380 nan 0.000 0.426 223 E N -0.210 119.916 120.200 -0.122 0.000 2.046 223 E HA -0.071 4.279 4.350 0.001 0.000 0.190 223 E C 0.697 177.240 176.600 -0.096 0.000 0.982 223 E CA 1.060 57.401 56.400 -0.098 0.000 0.800 223 E CB 0.183 29.844 29.700 -0.065 0.000 0.756 223 E HN 0.363 nan 8.360 nan 0.000 0.449 224 D N -0.830 119.504 120.400 -0.111 0.000 2.338 224 D HA 0.019 4.660 4.640 0.001 0.000 0.208 224 D C 1.870 178.020 176.300 -0.249 0.000 0.997 224 D CA 0.740 54.659 54.000 -0.136 0.000 0.880 224 D CB -0.344 40.393 40.800 -0.104 0.000 0.980 224 D HN 0.211 nan 8.370 nan 0.000 0.509 225 G N 2.649 111.255 108.800 -0.323 0.000 2.599 225 G HA2 -0.267 3.694 3.960 0.001 0.000 0.219 225 G HA3 -0.267 3.694 3.960 0.001 0.000 0.219 225 G C -0.717 173.855 174.900 -0.547 0.000 1.193 225 G CA 0.953 45.660 45.100 -0.655 0.000 0.778 225 G HN 0.292 nan 8.290 nan 0.000 0.589 226 P HA -0.086 nan 4.420 nan 0.000 0.215 226 P C 2.002 179.313 177.300 0.018 0.000 1.157 226 P CA 1.046 64.182 63.100 0.060 0.000 0.874 226 P CB -0.056 31.694 31.700 0.082 0.000 0.790 227 I N -1.238 119.295 120.570 -0.062 0.000 2.142 227 I HA -0.192 3.978 4.170 0.001 0.000 0.240 227 I C 2.428 178.484 176.117 -0.102 0.000 1.078 227 I CA 1.611 62.876 61.300 -0.058 0.000 1.343 227 I CB -1.460 36.500 38.000 -0.067 0.000 1.046 227 I HN -0.038 nan 8.210 nan 0.000 0.405 228 I N 0.115 120.563 120.570 -0.203 0.000 2.202 228 I HA -0.299 3.872 4.170 0.001 0.000 0.242 228 I C 2.498 178.600 176.117 -0.024 0.000 1.091 228 I CA 1.371 62.557 61.300 -0.190 0.000 1.368 228 I CB -0.381 37.442 38.000 -0.296 0.000 1.058 228 I HN 0.012 nan 8.210 nan 0.000 0.410 229 F N 0.687 120.575 119.950 -0.103 0.000 2.163 229 F HA -0.137 4.391 4.527 0.001 0.000 0.297 229 F C 2.602 178.050 175.800 -0.586 0.000 1.094 229 F CA 0.881 58.706 58.000 -0.293 0.000 1.290 229 F CB -1.161 37.703 39.000 -0.226 0.000 1.017 229 F HN 0.096 nan 8.300 nan 0.000 0.483 230 E N 0.876 120.944 120.200 -0.219 0.000 2.070 230 E HA -0.227 4.123 4.350 0.001 0.000 0.197 230 E C 2.446 178.947 176.600 -0.164 0.000 1.004 230 E CA 1.143 57.406 56.400 -0.230 0.000 0.805 230 E CB -0.127 29.625 29.700 0.086 0.000 0.744 230 E HN 0.220 nan 8.360 nan 0.000 0.451 231 R N -0.304 120.138 120.500 -0.097 0.000 2.083 231 R HA -0.132 4.208 4.340 0.001 0.000 0.237 231 R C 2.387 178.663 176.300 -0.040 0.000 1.137 231 R CA 1.166 57.222 56.100 -0.074 0.000 0.951 231 R CB -0.843 29.385 30.300 -0.119 0.000 0.851 231 R HN 0.470 nan 8.270 nan 0.000 0.434 232 H N 0.257 119.251 119.070 -0.126 0.000 2.353 232 H HA -0.103 4.453 4.556 0.001 0.000 0.298 232 H C 2.178 177.516 175.328 0.018 0.000 1.103 232 H CA 2.071 58.053 56.048 -0.110 0.000 1.293 232 H CB -0.145 29.468 29.762 -0.249 0.000 1.372 232 H HN 0.268 nan 8.280 nan 0.000 0.501 233 S N 1.012 116.627 115.700 -0.142 0.000 2.469 233 S HA -0.104 4.366 4.470 0.001 0.000 0.238 233 S C 1.939 176.575 174.600 0.059 0.000 0.998 233 S CA 0.574 58.672 58.200 -0.170 0.000 0.957 233 S CB -0.189 62.701 63.200 -0.517 0.000 0.764 233 S HN 0.370 nan 8.310 nan 0.000 0.514 234 R N -0.591 119.934 120.500 0.042 0.000 2.189 234 R HA 0.100 4.440 4.340 0.001 0.000 0.223 234 R C -0.096 176.067 176.300 -0.228 0.000 1.092 234 R CA 0.633 56.671 56.100 -0.104 0.000 0.989 234 R CB -0.195 29.968 30.300 -0.229 0.000 0.876 234 R HN 0.493 nan 8.270 nan 0.000 0.457 235 Y N -0.206 120.058 120.300 -0.059 0.000 2.354 235 Y HA 0.173 4.724 4.550 0.001 0.000 0.322 235 Y C 1.628 177.382 175.900 -0.244 0.000 1.253 235 Y CA -0.740 57.270 58.100 -0.151 0.000 1.272 235 Y CB 0.745 39.093 38.460 -0.187 0.000 1.255 235 Y HN -0.261 nan 8.280 nan 0.000 0.500 236 R N 0.192 120.557 120.500 -0.225 0.000 2.062 236 R HA 0.019 4.359 4.340 0.001 0.000 0.226 236 R C -0.743 175.171 176.300 -0.644 0.000 1.125 236 R CA 1.047 56.855 56.100 -0.487 0.000 0.966 236 R CB 0.014 29.857 30.300 -0.762 0.000 0.861 236 R HN 0.623 nan 8.270 nan 0.000 0.433 237 Y N 0.114 120.240 120.300 -0.289 0.000 2.446 237 Y HA 0.445 4.995 4.550 0.001 0.000 0.338 237 Y C -0.336 175.246 175.900 -0.531 0.000 1.055 237 Y CA -0.921 57.026 58.100 -0.255 0.000 1.101 237 Y CB 1.611 40.048 38.460 -0.037 0.000 1.221 237 Y HN 0.046 nan 8.280 nan 0.000 0.460 238 H N 2.125 121.341 119.070 0.242 0.000 2.865 238 H HA 0.372 4.928 4.556 0.001 0.000 0.362 238 H C -1.555 173.884 175.328 0.184 0.000 1.114 238 H CA -0.946 55.171 56.048 0.114 0.000 1.208 238 H CB 2.393 32.154 29.762 -0.001 0.000 1.727 238 H HN 0.792 nan 8.280 nan 0.000 0.534 239 Y N -0.090 120.301 120.300 0.151 0.000 2.615 239 Y HA 0.423 4.973 4.550 0.001 0.000 0.341 239 Y C -1.061 174.878 175.900 0.066 0.000 1.089 239 Y CA -1.192 56.964 58.100 0.093 0.000 1.049 239 Y CB 1.858 40.367 38.460 0.082 0.000 1.296 239 Y HN 0.483 nan 8.280 nan 0.000 0.470 240 D N 1.222 121.746 120.400 0.207 0.000 3.220 240 D HA 0.342 4.983 4.640 0.001 0.000 0.309 240 D C -0.489 175.896 176.300 0.141 0.000 1.276 240 D CA -0.207 53.852 54.000 0.097 0.000 0.736 240 D CB 0.139 40.942 40.800 0.006 0.000 1.304 240 D HN 0.968 nan 8.370 nan 0.000 0.582 241 A N 1.590 124.538 122.820 0.213 0.000 2.555 241 A HA 0.355 4.675 4.320 0.001 0.000 0.233 241 A C 0.210 177.735 177.584 -0.100 0.000 1.060 241 A CA 0.204 52.219 52.037 -0.036 0.000 0.759 241 A CB 0.251 19.104 19.000 -0.246 0.000 0.995 241 A HN 0.514 nan 8.150 nan 0.000 0.506 242 D N 0.692 121.000 120.400 -0.154 0.000 2.391 242 D HA 0.463 5.103 4.640 0.001 0.000 0.245 242 D C -1.239 174.987 176.300 -0.124 0.000 1.069 242 D CA -0.349 53.621 54.000 -0.050 0.000 0.831 242 D CB 0.479 41.298 40.800 0.032 0.000 1.204 242 D HN 0.351 nan 8.370 nan 0.000 0.503 243 Y N 0.565 120.965 120.300 0.167 0.000 2.308 243 Y HA 0.335 4.885 4.550 0.001 0.000 0.329 243 Y C 1.002 176.992 175.900 0.151 0.000 1.111 243 Y CA -0.660 57.557 58.100 0.196 0.000 1.179 243 Y CB 1.463 40.156 38.460 0.389 0.000 1.201 243 Y HN 0.225 nan 8.280 nan 0.000 0.483 244 S N 3.968 119.801 115.700 0.222 0.000 2.548 244 S HA 0.198 4.669 4.470 0.001 0.000 0.277 244 S C 0.102 174.786 174.600 0.141 0.000 1.315 244 S CA -0.998 57.287 58.200 0.141 0.000 1.050 244 S CB 0.242 63.484 63.200 0.071 0.000 0.918 244 S HN 0.782 nan 8.310 nan 0.000 0.497 245 R N 1.354 121.923 120.500 0.115 0.000 3.225 245 R HA -0.234 4.107 4.340 0.001 0.000 0.245 245 R C 0.727 177.054 176.300 0.045 0.000 0.928 245 R CA 0.634 56.771 56.100 0.063 0.000 0.632 245 R CB -2.294 27.994 30.300 -0.020 0.000 1.038 245 R HN 0.866 nan 8.270 nan 0.000 0.461 246 W N 2.094 123.365 121.300 -0.048 0.000 2.290 246 W HA -0.296 4.364 4.660 0.001 0.000 0.328 246 W C 0.957 177.360 176.519 -0.193 0.000 1.272 246 W CA 2.327 59.600 57.345 -0.120 0.000 1.262 246 W CB -0.401 28.998 29.460 -0.102 0.000 1.151 246 W HN 0.435 nan 8.180 nan 0.000 0.473 247 D N -0.020 120.418 120.400 0.063 0.000 2.104 247 D HA -0.205 4.436 4.640 0.001 0.000 0.194 247 D C 2.407 178.487 176.300 -0.366 0.000 0.994 247 D CA 2.710 56.665 54.000 -0.074 0.000 0.830 247 D CB -0.869 39.995 40.800 0.108 0.000 0.959 247 D HN 0.241 nan 8.370 nan 0.000 0.452 248 S N -0.495 114.852 115.700 -0.589 0.000 2.507 248 S HA -0.100 4.371 4.470 0.001 0.000 0.235 248 S C 1.760 175.955 174.600 -0.675 0.000 0.988 248 S CA 1.437 58.926 58.200 -1.185 0.000 0.944 248 S CB -0.565 61.947 63.200 -1.145 0.000 0.762 248 S HN 0.343 nan 8.310 nan 0.000 0.526 249 T N -2.271 111.981 114.554 -0.504 0.000 3.086 249 T HA 0.230 4.580 4.350 0.001 0.000 0.250 249 T C 0.505 174.917 174.700 -0.480 0.000 1.074 249 T CA -0.423 61.420 62.100 -0.429 0.000 0.988 249 T CB -0.115 68.527 68.868 -0.376 0.000 0.988 249 T HN 0.121 nan 8.240 nan 0.000 0.530 250 Q N 2.135 121.611 119.800 -0.540 0.000 2.364 250 Q HA 0.292 4.633 4.340 0.001 0.000 0.267 250 Q C -0.208 175.589 176.000 -0.339 0.000 0.999 250 Q CA 0.466 55.960 55.803 -0.516 0.000 0.886 250 Q CB 0.661 29.089 28.738 -0.518 0.000 1.243 250 Q HN 0.616 nan 8.270 nan 0.000 0.415 251 Q N 2.059 121.679 119.800 -0.300 0.000 2.271 251 Q HA 0.288 4.629 4.340 0.001 0.000 0.258 251 Q C 0.875 176.780 176.000 -0.160 0.000 0.936 251 Q CA -0.748 54.934 55.803 -0.202 0.000 0.909 251 Q CB 1.529 30.152 28.738 -0.192 0.000 1.253 251 Q HN 0.311 nan 8.270 nan 0.000 0.440 252 R N 1.296 121.736 120.500 -0.101 0.000 2.120 252 R HA -0.149 4.191 4.340 0.001 0.000 0.234 252 R C 1.774 178.062 176.300 -0.020 0.000 1.123 252 R CA 1.373 57.449 56.100 -0.041 0.000 0.975 252 R CB -0.576 29.721 30.300 -0.004 0.000 0.866 252 R HN 0.755 nan 8.270 nan 0.000 0.446 253 A N 0.537 123.328 122.820 -0.049 0.000 1.940 253 A HA -0.112 4.209 4.320 0.001 0.000 0.219 253 A C 2.439 179.987 177.584 -0.060 0.000 1.176 253 A CA 1.489 53.497 52.037 -0.048 0.000 0.631 253 A CB -0.374 18.586 19.000 -0.066 0.000 0.814 253 A HN 0.114 nan 8.150 nan 0.000 0.446 254 V N -0.156 119.698 119.914 -0.099 0.000 2.346 254 V HA -0.159 3.961 4.120 0.001 0.000 0.244 254 V C 2.494 178.570 176.094 -0.029 0.000 1.037 254 V CA 1.595 63.829 62.300 -0.111 0.000 1.029 254 V CB -0.629 31.075 31.823 -0.199 0.000 0.663 254 V HN 0.570 nan 8.190 nan 0.000 0.454 255 L N 0.314 121.529 121.223 -0.014 0.000 2.127 255 L HA -0.182 4.158 4.340 0.001 0.000 0.211 255 L C 2.709 179.781 176.870 0.337 0.000 1.089 255 L CA 1.506 56.446 54.840 0.167 0.000 0.757 255 L CB -0.842 41.230 42.059 0.022 0.000 0.899 255 L HN 0.373 nan 8.230 nan 0.000 0.434 256 A N 0.245 123.162 122.820 0.162 0.000 1.877 256 A HA -0.181 4.139 4.320 0.001 0.000 0.216 256 A C 2.592 180.213 177.584 0.062 0.000 1.186 256 A CA 1.761 53.861 52.037 0.106 0.000 0.620 256 A CB -0.735 18.298 19.000 0.054 0.000 0.822 256 A HN 0.391 nan 8.150 nan 0.000 0.443 257 A N -0.095 122.747 122.820 0.036 0.000 1.908 257 A HA 0.086 4.406 4.320 0.001 0.000 0.218 257 A C 2.517 180.117 177.584 0.028 0.000 1.181 257 A CA 2.353 54.396 52.037 0.010 0.000 0.627 257 A CB -1.071 17.915 19.000 -0.024 0.000 0.818 257 A HN 1.114 nan 8.150 nan 0.000 0.445 258 A N -0.565 122.309 122.820 0.089 0.000 1.902 258 A HA -0.051 4.270 4.320 0.001 0.000 0.217 258 A C 2.210 179.812 177.584 0.029 0.000 1.181 258 A CA 1.521 53.636 52.037 0.131 0.000 0.623 258 A CB -0.574 18.622 19.000 0.326 0.000 0.818 258 A HN 0.478 nan 8.150 nan 0.000 0.443 259 L N -0.860 120.343 121.223 -0.033 0.000 2.093 259 L HA -0.185 4.155 4.340 0.001 0.000 0.208 259 L C 2.676 179.483 176.870 -0.105 0.000 1.085 259 L CA 1.710 56.392 54.840 -0.262 0.000 0.755 259 L CB -0.343 41.519 42.059 -0.328 0.000 0.904 259 L HN 0.651 nan 8.230 nan 0.000 0.435 260 E N 0.749 120.932 120.200 -0.029 0.000 2.085 260 E HA -0.262 4.089 4.350 0.001 0.000 0.194 260 E C 2.250 178.865 176.600 0.025 0.000 0.994 260 E CA 1.496 57.896 56.400 0.000 0.000 0.801 260 E CB -0.073 29.626 29.700 -0.001 0.000 0.743 260 E HN 0.488 nan 8.360 nan 0.000 0.453 261 I N 0.332 120.924 120.570 0.036 0.000 2.163 261 I HA -0.323 3.848 4.170 0.001 0.000 0.243 261 I C 2.674 178.909 176.117 0.197 0.000 1.085 261 I CA 1.204 62.574 61.300 0.118 0.000 1.347 261 I CB -0.246 37.791 38.000 0.061 0.000 1.044 261 I HN 0.254 nan 8.210 nan 0.000 0.408 262 M N -0.165 119.471 119.600 0.060 0.000 2.086 262 M HA -0.194 4.287 4.480 0.001 0.000 0.261 262 M C 2.377 178.814 176.300 0.228 0.000 1.067 262 M CA 1.629 56.953 55.300 0.040 0.000 1.116 262 M CB -0.364 32.022 32.600 -0.358 0.000 1.348 262 M HN 0.058 nan 8.290 nan 0.000 0.407 263 V N 0.436 120.473 119.914 0.206 0.000 2.287 263 V HA -0.315 3.806 4.120 0.001 0.000 0.248 263 V C 2.279 178.434 176.094 0.102 0.000 1.053 263 V CA 2.081 64.511 62.300 0.217 0.000 1.027 263 V CB -0.723 31.175 31.823 0.124 0.000 0.646 263 V HN 0.474 nan 8.190 nan 0.000 0.447 264 K N -0.511 119.910 120.400 0.034 0.000 2.103 264 K HA -0.178 4.142 4.320 0.001 0.000 0.207 264 K C 1.504 177.928 176.600 -0.292 0.000 1.048 264 K CA 1.944 58.139 56.287 -0.154 0.000 0.930 264 K CB -0.179 32.183 32.500 -0.229 0.000 0.716 264 K HN 0.459 nan 8.250 nan 0.000 0.444 265 F N 0.707 120.688 119.950 0.052 0.000 2.641 265 F HA 0.161 4.688 4.527 0.001 0.000 0.302 265 F C 0.617 176.461 175.800 0.074 0.000 1.098 265 F CA -0.490 57.543 58.000 0.055 0.000 1.318 265 F CB 0.377 39.406 39.000 0.047 0.000 1.035 265 F HN -0.056 nan 8.300 nan 0.000 0.551 266 S N -0.710 115.109 115.700 0.199 0.000 2.614 266 S HA 0.125 4.595 4.470 0.001 0.000 0.265 266 S C 1.511 176.162 174.600 0.085 0.000 1.303 266 S CA -0.057 58.230 58.200 0.145 0.000 1.000 266 S CB 1.346 64.609 63.200 0.105 0.000 0.935 266 S HN 0.246 nan 8.310 nan 0.000 0.551 267 S N 0.538 116.275 115.700 0.060 0.000 2.399 267 S HA -0.068 4.402 4.470 0.001 0.000 0.231 267 S C 0.092 174.740 174.600 0.079 0.000 1.022 267 S CA 0.830 59.075 58.200 0.075 0.000 0.983 267 S CB -0.684 62.565 63.200 0.082 0.000 0.803 267 S HN 0.839 nan 8.310 nan 0.000 0.480 268 E N 1.165 121.398 120.200 0.054 0.000 2.873 268 E HA 0.358 4.709 4.350 0.001 0.000 0.232 268 E C -2.450 174.131 176.600 -0.032 0.000 1.123 268 E CA -1.882 54.540 56.400 0.037 0.000 0.809 268 E CB 1.739 31.406 29.700 -0.055 0.000 1.366 268 E HN 0.139 nan 8.360 nan 0.000 0.400 269 P HA -0.261 nan 4.420 nan 0.000 0.216 269 P C 1.172 178.477 177.300 0.008 0.000 1.150 269 P CA 1.304 64.420 63.100 0.027 0.000 0.843 269 P CB 0.059 31.779 31.700 0.033 0.000 0.787 270 H N -0.918 118.102 119.070 -0.084 0.000 2.457 270 H HA 0.016 4.573 4.556 0.001 0.000 0.294 270 H C 1.655 176.891 175.328 -0.152 0.000 1.064 270 H CA 1.036 57.024 56.048 -0.100 0.000 1.330 270 H CB -1.212 28.495 29.762 -0.092 0.000 1.395 270 H HN 0.182 nan 8.280 nan 0.000 0.541 271 L N 0.236 121.020 121.223 -0.732 0.000 2.202 271 L HA 0.205 4.545 4.340 0.001 0.000 0.205 271 L C 3.057 179.669 176.870 -0.431 0.000 1.083 271 L CA 0.641 55.039 54.840 -0.737 0.000 0.790 271 L CB -0.398 40.940 42.059 -1.202 0.000 0.942 271 L HN 0.284 nan 8.230 nan 0.000 0.452 272 A N -0.082 122.568 122.820 -0.283 0.000 1.972 272 A HA -0.263 4.058 4.320 0.001 0.000 0.219 272 A C 2.211 179.736 177.584 -0.098 0.000 1.169 272 A CA 1.649 53.547 52.037 -0.232 0.000 0.635 272 A CB -0.457 18.371 19.000 -0.285 0.000 0.810 272 A HN 0.359 nan 8.150 nan 0.000 0.446 273 Q N 0.241 120.001 119.800 -0.067 0.000 2.112 273 Q HA -0.150 4.190 4.340 0.001 0.000 0.206 273 Q C 1.894 177.883 176.000 -0.018 0.000 0.987 273 Q CA 2.389 58.182 55.803 -0.017 0.000 0.858 273 Q CB -0.792 27.935 28.738 -0.019 0.000 0.905 273 Q HN 0.382 nan 8.270 nan 0.000 0.420 274 V N -0.664 119.216 119.914 -0.057 0.000 2.358 274 V HA -0.221 3.899 4.120 0.001 0.000 0.246 274 V C 2.339 178.431 176.094 -0.003 0.000 1.047 274 V CA 1.565 63.841 62.300 -0.040 0.000 1.035 274 V CB -0.670 31.105 31.823 -0.080 0.000 0.658 274 V HN 0.232 nan 8.190 nan 0.000 0.452 275 V N 0.509 120.425 119.914 0.004 0.000 2.295 275 V HA -0.269 3.851 4.120 0.001 0.000 0.246 275 V C 2.755 178.898 176.094 0.082 0.000 1.049 275 V CA 1.997 64.329 62.300 0.053 0.000 1.024 275 V CB -1.322 30.521 31.823 0.033 0.000 0.648 275 V HN 0.548 nan 8.190 nan 0.000 0.447 276 A N 1.070 123.951 122.820 0.101 0.000 1.873 276 A HA -0.316 4.005 4.320 0.001 0.000 0.218 276 A C 2.285 179.878 177.584 0.016 0.000 1.193 276 A CA 2.290 54.358 52.037 0.051 0.000 0.629 276 A CB -0.693 18.344 19.000 0.061 0.000 0.826 276 A HN 0.793 nan 8.150 nan 0.000 0.447 277 E N -0.710 119.507 120.200 0.028 0.000 2.153 277 E HA -0.243 4.107 4.350 0.001 0.000 0.194 277 E C 0.976 177.606 176.600 0.050 0.000 0.988 277 E CA 1.383 57.803 56.400 0.033 0.000 0.811 277 E CB -0.426 29.288 29.700 0.023 0.000 0.746 277 E HN 0.511 nan 8.360 nan 0.000 0.466 278 D N 1.060 121.492 120.400 0.053 0.000 2.178 278 D HA -0.061 4.580 4.640 0.001 0.000 0.202 278 D C 2.144 178.508 176.300 0.107 0.000 0.974 278 D CA 0.772 54.813 54.000 0.068 0.000 0.841 278 D CB -0.061 40.774 40.800 0.057 0.000 0.953 278 D HN 0.279 nan 8.370 nan 0.000 0.478 279 L N 0.085 121.373 121.223 0.107 0.000 2.156 279 L HA -0.048 4.293 4.340 0.001 0.000 0.208 279 L C 2.407 179.421 176.870 0.240 0.000 1.095 279 L CA 0.479 55.425 54.840 0.177 0.000 0.770 279 L CB -0.166 41.916 42.059 0.038 0.000 0.914 279 L HN 0.028 nan 8.230 nan 0.000 0.439 280 L N -1.115 120.209 121.223 0.168 0.000 2.179 280 L HA -0.038 4.303 4.340 0.001 0.000 0.208 280 L C 1.449 178.396 176.870 0.128 0.000 1.096 280 L CA 0.014 54.960 54.840 0.176 0.000 0.779 280 L CB -0.210 41.922 42.059 0.122 0.000 0.922 280 L HN 0.090 nan 8.230 nan 0.000 0.443 281 S N -0.053 115.712 115.700 0.109 0.000 2.559 281 S HA 0.048 4.518 4.470 0.001 0.000 0.282 281 S C -2.073 172.590 174.600 0.106 0.000 1.336 281 S CA -0.971 57.284 58.200 0.091 0.000 1.037 281 S CB 0.241 63.490 63.200 0.081 0.000 0.853 281 S HN -0.009 nan 8.310 nan 0.000 0.523 282 P HA 0.002 nan 4.420 nan 0.000 0.261 282 P C -0.869 176.514 177.300 0.137 0.000 1.165 282 P CA 0.328 63.486 63.100 0.096 0.000 0.759 282 P CB 0.183 31.929 31.700 0.076 0.000 0.772 283 S N 2.200 117.999 115.700 0.164 0.000 2.474 283 S HA 0.183 4.653 4.470 0.001 0.000 0.276 283 S C 0.242 175.018 174.600 0.293 0.000 1.227 283 S CA -0.596 57.772 58.200 0.279 0.000 1.050 283 S CB 0.208 63.526 63.200 0.198 0.000 0.939 283 S HN 0.143 nan 8.310 nan 0.000 0.490 284 V N 5.016 125.110 119.914 0.299 0.000 2.408 284 V HA 0.340 4.460 4.120 0.001 0.000 0.267 284 V C 0.096 176.343 176.094 0.256 0.000 1.047 284 V CA -0.279 62.133 62.300 0.186 0.000 0.937 284 V CB 1.017 32.881 31.823 0.069 0.000 0.999 284 V HN 0.613 nan 8.190 nan 0.000 0.472 285 V N 5.003 125.001 119.914 0.139 0.000 2.525 285 V HA 0.439 4.560 4.120 0.001 0.000 0.299 285 V C -0.629 175.441 176.094 -0.040 0.000 1.034 285 V CA -0.600 61.739 62.300 0.065 0.000 0.863 285 V CB 2.000 33.747 31.823 -0.127 0.000 0.999 285 V HN 0.917 nan 8.190 nan 0.000 0.423 286 D N 4.633 125.015 120.400 -0.030 0.000 2.325 286 D HA 0.179 4.820 4.640 0.001 0.000 0.251 286 D C 0.677 176.919 176.300 -0.096 0.000 1.196 286 D CA 0.155 54.126 54.000 -0.049 0.000 0.866 286 D CB 1.851 42.657 40.800 0.009 0.000 1.101 286 D HN 0.614 nan 8.370 nan 0.000 0.476 287 V N 1.789 121.624 119.914 -0.131 0.000 3.177 287 V HA 0.520 4.640 4.120 0.001 0.000 0.342 287 V C 1.139 177.154 176.094 -0.131 0.000 1.379 287 V CA 0.471 62.686 62.300 -0.141 0.000 1.191 287 V CB 0.066 31.803 31.823 -0.143 0.000 1.167 287 V HN 0.750 nan 8.190 nan 0.000 0.471 288 G N 2.225 110.944 108.800 -0.136 0.000 4.731 288 G HA2 -0.332 3.628 3.960 0.001 0.000 0.266 288 G HA3 -0.332 3.628 3.960 0.001 0.000 0.266 288 G C 0.422 175.193 174.900 -0.214 0.000 1.635 288 G CA 0.557 45.571 45.100 -0.144 0.000 1.229 288 G HN 0.641 nan 8.290 nan 0.000 0.663 289 D N 0.965 121.192 120.400 -0.288 0.000 2.183 289 D HA 0.334 4.975 4.640 0.001 0.000 0.203 289 D C 0.853 176.617 176.300 -0.893 0.000 0.969 289 D CA 1.153 54.817 54.000 -0.560 0.000 0.842 289 D CB -0.013 40.451 40.800 -0.560 0.000 0.957 289 D HN 0.402 nan 8.370 nan 0.000 0.484 290 F N -0.650 119.123 119.950 -0.294 0.000 2.629 290 F HA 0.484 5.011 4.527 0.001 0.000 0.316 290 F C -0.124 175.533 175.800 -0.238 0.000 1.081 290 F CA -1.214 56.617 58.000 -0.282 0.000 0.954 290 F CB 2.026 40.780 39.000 -0.411 0.000 1.337 290 F HN -0.472 nan 8.300 nan 0.000 0.474 291 T N 3.729 118.316 114.554 0.054 0.000 2.758 291 T HA 0.675 5.025 4.350 0.001 0.000 0.285 291 T C -0.356 174.347 174.700 0.004 0.000 0.981 291 T CA -0.429 61.670 62.100 -0.003 0.000 0.965 291 T CB 0.393 69.254 68.868 -0.011 0.000 0.927 291 T HN 0.517 nan 8.240 nan 0.000 0.448 292 I N -0.309 120.250 120.570 -0.017 0.000 2.910 292 I HA 0.849 5.019 4.170 0.001 0.000 0.310 292 I C -0.147 175.992 176.117 0.037 0.000 1.043 292 I CA -0.954 60.347 61.300 0.002 0.000 1.053 292 I CB 2.202 40.206 38.000 0.007 0.000 1.242 292 I HN 0.458 nan 8.210 nan 0.000 0.452 293 S N 4.329 120.060 115.700 0.051 0.000 2.438 293 S HA 0.589 5.060 4.470 0.001 0.000 0.316 293 S C -0.595 174.063 174.600 0.097 0.000 1.084 293 S CA -0.716 57.531 58.200 0.077 0.000 1.107 293 S CB 0.426 63.662 63.200 0.060 0.000 0.981 293 S HN 0.465 nan 8.310 nan 0.000 0.466 294 I N 6.035 126.688 120.570 0.139 0.000 2.354 294 I HA 0.263 4.433 4.170 0.001 0.000 0.286 294 I C 0.675 176.869 176.117 0.128 0.000 1.007 294 I CA -0.519 60.877 61.300 0.161 0.000 1.167 294 I CB 1.264 39.423 38.000 0.264 0.000 1.320 294 I HN 0.781 nan 8.210 nan 0.000 0.458 295 N N 4.427 123.187 118.700 0.100 0.000 2.353 295 N HA 0.037 4.778 4.740 0.001 0.000 0.185 295 N C 0.235 175.777 175.510 0.053 0.000 1.098 295 N CA 0.295 53.387 53.050 0.071 0.000 0.872 295 N CB 0.622 39.141 38.487 0.054 0.000 0.970 295 N HN 0.436 nan 8.380 nan 0.000 0.467 296 E N -0.578 119.668 120.200 0.076 0.000 2.410 296 E HA 0.599 4.950 4.350 0.001 0.000 0.269 296 E C 0.247 176.901 176.600 0.090 0.000 0.937 296 E CA -0.233 56.194 56.400 0.044 0.000 0.793 296 E CB 2.104 31.818 29.700 0.023 0.000 1.314 296 E HN 0.234 nan 8.360 nan 0.000 0.447 297 G N 0.125 108.911 108.800 -0.025 0.000 2.796 297 G HA2 -0.221 3.739 3.960 0.001 0.000 0.571 297 G HA3 -0.221 3.739 3.960 0.001 0.000 0.571 297 G C -1.129 173.667 174.900 -0.173 0.000 1.370 297 G CA -0.234 44.830 45.100 -0.062 0.000 0.856 297 G HN 0.420 nan 8.290 nan 0.000 0.538 298 L N 1.827 122.909 121.223 -0.235 0.000 2.282 298 L HA 0.670 5.011 4.340 0.001 0.000 0.288 298 L C -1.771 174.736 176.870 -0.605 0.000 1.033 298 L CA -2.146 52.408 54.840 -0.477 0.000 0.807 298 L CB 1.773 43.522 42.059 -0.516 0.000 1.209 298 L HN 0.415 nan 8.230 nan 0.000 0.423 299 P HA 0.098 nan 4.420 nan 0.000 0.256 299 P C -0.749 175.899 177.300 -1.086 0.000 1.688 299 P CA -0.275 61.642 63.100 -1.971 0.000 1.162 299 P CB 0.020 30.628 31.700 -1.819 0.000 1.870 300 S N 1.938 117.202 115.700 -0.728 0.000 2.714 300 S HA 0.297 4.767 4.470 0.001 0.000 0.318 300 S C 1.643 176.335 174.600 0.155 0.000 1.219 300 S CA 0.556 58.721 58.200 -0.058 0.000 1.175 300 S CB -0.658 62.651 63.200 0.182 0.000 0.961 300 S HN 0.742 nan 8.310 nan 0.000 0.518 301 G N 1.528 110.411 108.800 0.139 0.000 2.296 301 G HA2 -0.217 3.743 3.960 0.001 0.000 0.188 301 G HA3 -0.217 3.743 3.960 0.001 0.000 0.188 301 G C 0.107 175.156 174.900 0.248 0.000 1.000 301 G CA -0.308 44.922 45.100 0.216 0.000 0.672 301 G HN 0.832 nan 8.290 nan 0.000 0.483 302 V N 2.553 122.608 119.914 0.235 0.000 2.644 302 V HA 0.241 4.361 4.120 0.001 0.000 0.305 302 V C 0.221 176.473 176.094 0.263 0.000 1.053 302 V CA 0.291 62.789 62.300 0.329 0.000 1.186 302 V CB 1.354 33.378 31.823 0.334 0.000 0.895 302 V HN 0.159 nan 8.190 nan 0.000 0.490 303 P HA -0.143 nan 4.420 nan 0.000 0.218 303 P C 0.864 178.261 177.300 0.162 0.000 1.152 303 P CA 1.704 64.914 63.100 0.183 0.000 0.857 303 P CB 0.073 31.872 31.700 0.164 0.000 0.787 304 C N -1.627 117.777 119.300 0.173 0.000 2.470 304 C HA 0.213 4.673 4.460 0.001 0.000 0.311 304 C C 2.222 177.328 174.990 0.193 0.000 1.387 304 C CA 0.024 59.121 59.018 0.131 0.000 1.783 304 C CB -2.021 25.732 27.740 0.021 0.000 2.416 304 C HN 0.305 nan 8.230 nan 0.000 0.558 305 T N 1.807 116.479 114.554 0.196 0.000 2.592 305 T HA -0.231 4.120 4.350 0.001 0.000 0.267 305 T C 2.140 176.916 174.700 0.126 0.000 1.060 305 T CA 2.719 64.918 62.100 0.165 0.000 1.167 305 T CB -0.204 68.735 68.868 0.119 0.000 0.863 305 T HN 0.787 nan 8.240 nan 0.000 0.431 306 S N 1.238 116.994 115.700 0.093 0.000 2.368 306 S HA -0.179 4.291 4.470 0.001 0.000 0.225 306 S C 2.056 176.652 174.600 -0.008 0.000 1.030 306 S CA 1.214 59.431 58.200 0.030 0.000 0.999 306 S CB -0.502 62.694 63.200 -0.008 0.000 0.844 306 S HN 0.497 nan 8.310 nan 0.000 0.459 307 Q N -0.154 119.659 119.800 0.022 0.000 2.096 307 Q HA 0.091 4.431 4.340 0.001 0.000 0.197 307 Q C 1.772 177.852 176.000 0.134 0.000 0.964 307 Q CA 1.170 56.991 55.803 0.031 0.000 0.838 307 Q CB -0.511 28.230 28.738 0.004 0.000 0.906 307 Q HN 0.712 nan 8.270 nan 0.000 0.444 308 W N 2.025 123.281 121.300 -0.074 0.000 2.333 308 W HA -0.178 4.483 4.660 0.000 0.000 0.316 308 W C 1.617 178.135 176.519 -0.001 0.000 1.215 308 W CA 1.609 58.911 57.345 -0.072 0.000 1.278 308 W CB -0.828 28.571 29.460 -0.101 0.000 1.154 308 W HN 0.157 nan 8.180 nan 0.000 0.486 309 N N -0.034 118.725 118.700 0.099 0.000 2.104 309 N HA -0.165 4.575 4.740 0.001 0.000 0.190 309 N C 1.908 177.473 175.510 0.093 0.000 1.024 309 N CA 2.179 55.263 53.050 0.057 0.000 0.853 309 N CB -0.737 37.770 38.487 0.034 0.000 1.008 309 N HN 0.060 nan 8.380 nan 0.000 0.424 310 S N 0.525 116.267 115.700 0.071 0.000 2.382 310 S HA -0.010 4.461 4.470 0.001 0.000 0.228 310 S C 2.082 176.765 174.600 0.139 0.000 1.027 310 S CA 0.669 58.911 58.200 0.070 0.000 0.991 310 S CB -0.094 63.139 63.200 0.055 0.000 0.823 310 S HN 0.313 nan 8.310 nan 0.000 0.469 311 I N 1.677 122.369 120.570 0.203 0.000 2.315 311 I HA -0.152 4.018 4.170 0.001 0.000 0.248 311 I C 2.670 178.888 176.117 0.169 0.000 1.117 311 I CA 0.952 62.402 61.300 0.250 0.000 1.404 311 I CB -0.473 37.645 38.000 0.197 0.000 1.071 311 I HN 0.249 nan 8.210 nan 0.000 0.419 312 A N -0.011 122.898 122.820 0.149 0.000 1.908 312 A HA -0.310 4.011 4.320 0.001 0.000 0.218 312 A C 2.204 179.853 177.584 0.108 0.000 1.181 312 A CA 2.028 54.119 52.037 0.090 0.000 0.627 312 A CB -1.173 17.850 19.000 0.037 0.000 0.818 312 A HN 0.522 nan 8.150 nan 0.000 0.445 313 H N -2.869 116.206 119.070 0.009 0.000 2.353 313 H HA -0.210 4.346 4.556 0.001 0.000 0.300 313 H C 1.927 176.908 175.328 -0.578 0.000 1.090 313 H CA 1.512 57.420 56.048 -0.233 0.000 1.327 313 H CB -0.131 29.251 29.762 -0.633 0.000 1.383 313 H HN 0.699 nan 8.280 nan 0.000 0.508 314 W N 1.443 122.384 121.300 -0.600 0.000 2.355 314 W HA -0.202 4.459 4.660 0.001 0.000 0.309 314 W C 1.906 178.312 176.519 -0.188 0.000 1.206 314 W CA 1.339 58.407 57.345 -0.461 0.000 1.284 314 W CB -0.927 28.481 29.460 -0.087 0.000 1.145 314 W HN 0.255 nan 8.180 nan 0.000 0.502 315 L N -0.026 121.228 121.223 0.053 0.000 2.012 315 L HA -0.281 4.060 4.340 0.001 0.000 0.210 315 L C 2.676 179.544 176.870 -0.003 0.000 1.073 315 L CA 1.498 56.318 54.840 -0.033 0.000 0.748 315 L CB -1.127 40.890 42.059 -0.071 0.000 0.891 315 L HN -0.073 nan 8.230 nan 0.000 0.431 316 L N -1.222 120.000 121.223 -0.001 0.000 2.093 316 L HA -0.179 4.162 4.340 0.001 0.000 0.208 316 L C 2.564 179.547 176.870 0.187 0.000 1.085 316 L CA 1.338 56.204 54.840 0.044 0.000 0.755 316 L CB -0.698 41.364 42.059 0.005 0.000 0.904 316 L HN 0.256 nan 8.230 nan 0.000 0.435 317 T N -0.063 114.570 114.554 0.133 0.000 2.770 317 T HA -0.113 4.238 4.350 0.001 0.000 0.263 317 T C 1.978 176.764 174.700 0.143 0.000 1.039 317 T CA 0.989 63.178 62.100 0.149 0.000 1.142 317 T CB -0.185 68.698 68.868 0.026 0.000 0.868 317 T HN 0.149 nan 8.240 nan 0.000 0.435 318 L N 0.508 121.811 121.223 0.132 0.000 2.012 318 L HA -0.173 4.167 4.340 0.001 0.000 0.210 318 L C 2.893 179.876 176.870 0.189 0.000 1.073 318 L CA 1.213 56.182 54.840 0.215 0.000 0.748 318 L CB -0.587 41.603 42.059 0.218 0.000 0.891 318 L HN 0.402 nan 8.230 nan 0.000 0.431 319 C N -0.777 118.620 119.300 0.161 0.000 2.432 319 C HA -0.150 4.310 4.460 0.001 0.000 0.277 319 C C 3.103 178.256 174.990 0.272 0.000 1.249 319 C CA 0.619 59.744 59.018 0.178 0.000 1.725 319 C CB -1.106 26.691 27.740 0.095 0.000 2.028 319 C HN 0.645 nan 8.230 nan 0.000 0.477 320 A N 0.542 123.565 122.820 0.339 0.000 1.865 320 A HA -0.139 4.182 4.320 0.001 0.000 0.217 320 A C 2.113 179.774 177.584 0.128 0.000 1.191 320 A CA 1.669 53.821 52.037 0.192 0.000 0.623 320 A CB -0.718 18.366 19.000 0.140 0.000 0.826 320 A HN 0.613 nan 8.150 nan 0.000 0.444 321 L N -0.698 120.632 121.223 0.178 0.000 2.046 321 L HA -0.166 4.175 4.340 0.001 0.000 0.208 321 L C 2.931 179.886 176.870 0.141 0.000 1.077 321 L CA 1.501 56.445 54.840 0.173 0.000 0.747 321 L CB -0.543 41.671 42.059 0.257 0.000 0.896 321 L HN 0.524 nan 8.230 nan 0.000 0.432 322 S N -0.167 115.623 115.700 0.151 0.000 2.353 322 S HA -0.227 4.243 4.470 0.001 0.000 0.222 322 S C 1.893 176.548 174.600 0.092 0.000 1.035 322 S CA 1.586 59.858 58.200 0.120 0.000 1.025 322 S CB -0.139 63.132 63.200 0.119 0.000 0.902 322 S HN 0.423 nan 8.310 nan 0.000 0.440 323 E N 0.136 120.394 120.200 0.097 0.000 2.110 323 E HA -0.108 4.243 4.350 0.001 0.000 0.193 323 E C 2.117 178.740 176.600 0.037 0.000 0.988 323 E CA 1.595 58.037 56.400 0.071 0.000 0.804 323 E CB -0.215 29.540 29.700 0.093 0.000 0.745 323 E HN 0.670 nan 8.360 nan 0.000 0.458 324 V N -2.146 117.784 119.914 0.027 0.000 3.306 324 V HA 0.030 4.150 4.120 0.001 0.000 0.264 324 V C 1.812 177.913 176.094 0.011 0.000 1.149 324 V CA 1.614 63.915 62.300 0.001 0.000 1.143 324 V CB 0.457 32.266 31.823 -0.024 0.000 0.767 324 V HN 0.063 nan 8.190 nan 0.000 0.476 325 T N 0.377 114.951 114.554 0.034 0.000 2.990 325 T HA 0.149 4.500 4.350 0.001 0.000 0.250 325 T C 0.996 175.718 174.700 0.037 0.000 1.041 325 T CA 0.567 62.689 62.100 0.036 0.000 1.010 325 T CB -0.587 68.315 68.868 0.057 0.000 1.003 325 T HN 0.651 nan 8.240 nan 0.000 0.499 326 N N 0.808 119.532 118.700 0.040 0.000 2.740 326 N HA -0.141 4.599 4.740 0.001 0.000 0.248 326 N C -1.119 174.418 175.510 0.045 0.000 1.062 326 N CA 0.546 53.619 53.050 0.038 0.000 0.704 326 N CB -1.862 36.641 38.487 0.027 0.000 0.968 326 N HN 0.532 nan 8.380 nan 0.000 0.547 327 L N -0.017 121.241 121.223 0.058 0.000 2.381 327 L HA 0.508 4.849 4.340 0.001 0.000 0.268 327 L C 0.677 177.590 176.870 0.072 0.000 0.997 327 L CA -1.003 53.875 54.840 0.063 0.000 0.818 327 L CB 1.858 43.959 42.059 0.071 0.000 1.310 327 L HN 0.251 nan 8.230 nan 0.000 0.416 328 S N 0.884 116.623 115.700 0.065 0.000 2.563 328 S HA 0.117 4.587 4.470 0.001 0.000 0.284 328 S C -1.972 172.682 174.600 0.090 0.000 1.331 328 S CA -0.798 57.443 58.200 0.067 0.000 1.047 328 S CB 0.513 63.746 63.200 0.054 0.000 0.859 328 S HN 0.459 nan 8.310 nan 0.000 0.514 329 P HA -0.081 nan 4.420 nan 0.000 0.219 329 P C 0.713 178.089 177.300 0.127 0.000 1.146 329 P CA 1.092 64.268 63.100 0.126 0.000 0.808 329 P CB -0.006 31.752 31.700 0.096 0.000 0.779 330 D N -0.908 119.545 120.400 0.090 0.000 2.117 330 D HA -0.108 4.532 4.640 0.001 0.000 0.197 330 D C 1.924 178.275 176.300 0.085 0.000 0.987 330 D CA 1.032 55.081 54.000 0.081 0.000 0.829 330 D CB -0.561 40.274 40.800 0.058 0.000 0.961 330 D HN 0.191 nan 8.370 nan 0.000 0.460 331 I N 0.493 121.113 120.570 0.083 0.000 2.286 331 I HA -0.195 3.976 4.170 0.001 0.000 0.245 331 I C 2.064 178.239 176.117 0.097 0.000 1.104 331 I CA 0.262 61.610 61.300 0.079 0.000 1.397 331 I CB 0.027 38.069 38.000 0.070 0.000 1.072 331 I HN -0.027 nan 8.210 nan 0.000 0.417 332 I N 0.597 121.245 120.570 0.130 0.000 2.091 332 I HA -0.335 3.836 4.170 0.001 0.000 0.239 332 I C 2.625 178.825 176.117 0.139 0.000 1.061 332 I CA 1.733 63.136 61.300 0.172 0.000 1.317 332 I CB -1.462 36.691 38.000 0.255 0.000 1.031 332 I HN 0.302 nan 8.210 nan 0.000 0.401 333 Q N 1.078 120.979 119.800 0.169 0.000 2.112 333 Q HA -0.139 4.201 4.340 0.001 0.000 0.206 333 Q C 2.155 178.155 176.000 0.000 0.000 0.987 333 Q CA 2.444 58.313 55.803 0.109 0.000 0.858 333 Q CB -0.449 28.415 28.738 0.210 0.000 0.905 333 Q HN 0.501 nan 8.270 nan 0.000 0.420 334 A N -0.221 122.625 122.820 0.044 0.000 2.121 334 A HA -0.076 4.244 4.320 0.001 0.000 0.218 334 A C 1.268 178.884 177.584 0.053 0.000 1.154 334 A CA 1.334 53.394 52.037 0.038 0.000 0.679 334 A CB -0.160 18.869 19.000 0.047 0.000 0.795 334 A HN 0.450 nan 8.150 nan 0.000 0.458 335 N N -0.425 118.308 118.700 0.054 0.000 2.238 335 N HA 0.158 4.898 4.740 0.001 0.000 0.235 335 N C -0.822 174.751 175.510 0.105 0.000 1.209 335 N CA 0.209 53.332 53.050 0.121 0.000 0.879 335 N CB 0.871 39.422 38.487 0.106 0.000 1.136 335 N HN 0.273 nan 8.380 nan 0.000 0.517 336 S N 0.379 115.971 115.700 -0.180 0.000 2.661 336 S HA 0.614 5.084 4.470 0.001 0.000 0.285 336 S C -1.155 172.760 174.600 -1.142 0.000 1.138 336 S CA -0.584 57.228 58.200 -0.647 0.000 0.855 336 S CB 2.617 65.493 63.200 -0.539 0.000 1.136 336 S HN 0.100 nan 8.310 nan 0.000 0.484 337 L N 1.711 122.082 121.223 -1.420 0.000 2.436 337 L HA 0.741 5.082 4.340 0.001 0.000 0.268 337 L C -2.087 174.196 176.870 -0.978 0.000 0.974 337 L CA -0.288 53.809 54.840 -1.238 0.000 0.826 337 L CB 1.076 42.395 42.059 -1.235 0.000 1.291 337 L HN 0.573 nan 8.230 nan 0.000 0.406 338 F N 1.885 121.451 119.950 -0.641 0.000 2.522 338 F HA 0.703 5.231 4.527 0.000 0.000 0.324 338 F C 0.280 175.574 175.800 -0.843 0.000 1.077 338 F CA -0.952 56.579 58.000 -0.781 0.000 0.944 338 F CB 2.285 40.712 39.000 -0.955 0.000 1.175 338 F HN 0.299 nan 8.300 nan 0.000 0.468 339 S N 2.227 117.474 115.700 -0.755 0.000 2.605 339 S HA 0.748 5.219 4.470 0.001 0.000 0.308 339 S C -1.493 172.575 174.600 -0.888 0.000 1.113 339 S CA -0.429 57.311 58.200 -0.767 0.000 1.049 339 S CB 0.406 63.080 63.200 -0.876 0.000 1.001 339 S HN 0.321 nan 8.310 nan 0.000 0.480 340 F N 2.392 122.287 119.950 -0.092 0.000 2.540 340 F HA 0.504 5.031 4.527 0.001 0.000 0.317 340 F C -0.613 175.297 175.800 0.183 0.000 1.104 340 F CA -0.987 56.985 58.000 -0.047 0.000 0.913 340 F CB 1.244 40.048 39.000 -0.326 0.000 1.170 340 F HN 0.515 nan 8.300 nan 0.000 0.450 341 Y N 2.171 122.621 120.300 0.250 0.000 2.609 341 Y HA 0.523 5.073 4.550 0.001 0.000 0.350 341 Y C 0.461 176.341 175.900 -0.033 0.000 1.050 341 Y CA -0.295 57.843 58.100 0.062 0.000 1.290 341 Y CB 0.844 39.238 38.460 -0.111 0.000 1.094 341 Y HN 0.868 nan 8.280 nan 0.000 0.583 342 G N 3.858 112.706 108.800 0.080 0.000 2.574 342 G HA2 -0.436 3.525 3.960 0.001 0.000 0.301 342 G HA3 -0.436 3.525 3.960 0.001 0.000 0.301 342 G C 0.843 175.566 174.900 -0.295 0.000 1.166 342 G CA 0.861 45.927 45.100 -0.056 0.000 0.971 342 G HN 0.659 nan 8.290 nan 0.000 0.542 343 D N 1.307 121.425 120.400 -0.470 0.000 2.347 343 D HA 0.141 4.781 4.640 0.001 0.000 0.213 343 D C 0.585 176.836 176.300 -0.081 0.000 0.985 343 D CA 0.939 54.455 54.000 -0.807 0.000 0.879 343 D CB -0.160 40.318 40.800 -0.537 0.000 0.919 343 D HN 0.365 nan 8.370 nan 0.000 0.526 344 D N 1.106 121.536 120.400 0.050 0.000 2.304 344 D HA 0.181 4.822 4.640 0.001 0.000 0.250 344 D C -0.171 176.339 176.300 0.351 0.000 1.107 344 D CA -0.036 54.061 54.000 0.161 0.000 0.885 344 D CB 0.951 41.709 40.800 -0.070 0.000 1.192 344 D HN 0.444 nan 8.370 nan 0.000 0.436 345 E N 2.481 122.918 120.200 0.394 0.000 2.356 345 E HA 0.532 4.883 4.350 0.001 0.000 0.275 345 E C -1.147 175.483 176.600 0.050 0.000 0.904 345 E CA -0.842 55.700 56.400 0.236 0.000 0.757 345 E CB 1.325 31.194 29.700 0.282 0.000 1.232 345 E HN 0.290 nan 8.360 nan 0.000 0.442 346 I N 2.311 122.680 120.570 -0.336 0.000 2.466 346 I HA 0.339 4.510 4.170 0.001 0.000 0.289 346 I C -0.957 174.916 176.117 -0.408 0.000 1.026 346 I CA -1.281 59.754 61.300 -0.443 0.000 1.078 346 I CB 2.101 39.631 38.000 -0.783 0.000 1.249 346 I HN 0.381 nan 8.210 nan 0.000 0.429 347 V N 4.845 124.511 119.914 -0.414 0.000 2.417 347 V HA 0.465 4.586 4.120 0.001 0.000 0.291 347 V C -0.065 175.928 176.094 -0.169 0.000 1.024 347 V CA -0.341 61.772 62.300 -0.311 0.000 0.861 347 V CB 1.633 33.028 31.823 -0.714 0.000 0.985 347 V HN 0.751 nan 8.190 nan 0.000 0.436 348 S N 2.731 118.390 115.700 -0.068 0.000 2.513 348 S HA 0.837 5.308 4.470 0.001 0.000 0.299 348 S C -0.303 174.132 174.600 -0.275 0.000 1.087 348 S CA -0.554 57.574 58.200 -0.120 0.000 1.012 348 S CB 2.062 65.287 63.200 0.041 0.000 1.044 348 S HN 0.875 nan 8.310 nan 0.000 0.485 349 T N 0.474 114.965 114.554 -0.105 0.000 2.885 349 T HA 0.320 4.670 4.350 0.001 0.000 0.322 349 T C -1.093 173.738 174.700 0.217 0.000 1.387 349 T CA -0.530 61.603 62.100 0.056 0.000 1.041 349 T CB 1.380 70.333 68.868 0.141 0.000 1.287 349 T HN 0.423 nan 8.240 nan 0.000 0.491 350 D N 1.816 122.373 120.400 0.261 0.000 2.349 350 D HA 0.277 4.918 4.640 0.001 0.000 0.214 350 D C 0.445 176.920 176.300 0.292 0.000 1.063 350 D CA 0.304 54.415 54.000 0.185 0.000 0.847 350 D CB 0.316 41.175 40.800 0.098 0.000 0.933 350 D HN 0.493 nan 8.370 nan 0.000 0.513 351 I N 1.293 122.038 120.570 0.291 0.000 2.342 351 I HA 0.054 4.224 4.170 0.001 0.000 0.291 351 I C 0.813 177.015 176.117 0.141 0.000 1.010 351 I CA -0.503 60.923 61.300 0.210 0.000 1.308 351 I CB 1.262 39.348 38.000 0.144 0.000 1.400 351 I HN -0.424 nan 8.210 nan 0.000 0.488 352 K N 7.263 127.684 120.400 0.034 0.000 2.412 352 K HA 0.325 4.645 4.320 0.001 0.000 0.284 352 K C -1.018 175.458 176.600 -0.206 0.000 1.046 352 K CA -0.127 55.988 56.287 -0.287 0.000 0.999 352 K CB 0.392 32.802 32.500 -0.151 0.000 0.941 352 K HN 0.505 nan 8.250 nan 0.000 0.474 353 L N 2.923 123.970 121.223 -0.293 0.000 2.331 353 L HA 0.273 4.613 4.340 0.001 0.000 0.275 353 L C 0.114 176.889 176.870 -0.158 0.000 1.022 353 L CA -0.971 53.777 54.840 -0.153 0.000 0.812 353 L CB 1.416 43.417 42.059 -0.097 0.000 1.257 353 L HN 0.590 nan 8.230 nan 0.000 0.435 354 D N 3.985 124.321 120.400 -0.108 0.000 2.339 354 D HA 0.154 4.795 4.640 0.001 0.000 0.241 354 D C -1.687 174.547 176.300 -0.111 0.000 1.183 354 D CA -1.773 52.168 54.000 -0.097 0.000 0.859 354 D CB 1.874 42.632 40.800 -0.070 0.000 1.067 354 D HN 0.253 nan 8.370 nan 0.000 0.484 355 P HA -0.128 nan 4.420 nan 0.000 0.218 355 P C 0.877 178.103 177.300 -0.123 0.000 1.149 355 P CA 0.981 63.998 63.100 -0.138 0.000 0.817 355 P CB 0.569 32.203 31.700 -0.110 0.000 0.785 356 E N 0.823 120.968 120.200 -0.092 0.000 2.047 356 E HA -0.150 4.201 4.350 0.001 0.000 0.191 356 E C 2.119 178.667 176.600 -0.086 0.000 0.987 356 E CA 1.057 57.409 56.400 -0.080 0.000 0.799 356 E CB -0.414 29.249 29.700 -0.061 0.000 0.752 356 E HN 0.338 nan 8.360 nan 0.000 0.449 357 K N 0.577 120.927 120.400 -0.083 0.000 2.097 357 K HA -0.147 4.173 4.320 0.001 0.000 0.206 357 K C 2.234 178.772 176.600 -0.103 0.000 1.049 357 K CA 0.682 56.920 56.287 -0.081 0.000 0.933 357 K CB -0.162 32.299 32.500 -0.065 0.000 0.717 357 K HN -0.015 nan 8.250 nan 0.000 0.442 358 L N 1.086 122.238 121.223 -0.118 0.000 2.017 358 L HA -0.179 4.161 4.340 0.001 0.000 0.208 358 L C 1.994 178.775 176.870 -0.149 0.000 1.073 358 L CA 1.944 56.699 54.840 -0.141 0.000 0.745 358 L CB -0.823 41.120 42.059 -0.194 0.000 0.894 358 L HN 0.114 nan 8.230 nan 0.000 0.432 359 T N -0.004 114.465 114.554 -0.141 0.000 2.652 359 T HA -0.231 4.120 4.350 0.001 0.000 0.267 359 T C 1.886 176.522 174.700 -0.108 0.000 1.039 359 T CA 1.647 63.678 62.100 -0.114 0.000 1.153 359 T CB -0.666 68.141 68.868 -0.101 0.000 0.863 359 T HN 0.534 nan 8.240 nan 0.000 0.428 360 A N 1.270 124.025 122.820 -0.109 0.000 1.972 360 A HA -0.120 4.201 4.320 0.001 0.000 0.219 360 A C 2.191 179.679 177.584 -0.160 0.000 1.169 360 A CA 1.985 53.957 52.037 -0.108 0.000 0.635 360 A CB -0.464 18.484 19.000 -0.087 0.000 0.810 360 A HN 0.343 nan 8.150 nan 0.000 0.446 361 K N 0.079 120.351 120.400 -0.213 0.000 2.031 361 K HA 0.063 4.384 4.320 0.001 0.000 0.205 361 K C 1.708 177.943 176.600 -0.609 0.000 1.049 361 K CA 1.308 57.366 56.287 -0.381 0.000 0.939 361 K CB -0.622 31.671 32.500 -0.345 0.000 0.717 361 K HN 0.442 nan 8.250 nan 0.000 0.438 362 L N 0.496 121.497 121.223 -0.370 0.000 2.083 362 L HA -0.161 4.180 4.340 0.001 0.000 0.209 362 L C 2.227 179.020 176.870 -0.128 0.000 1.083 362 L CA 1.495 56.198 54.840 -0.228 0.000 0.752 362 L CB -0.302 41.778 42.059 0.035 0.000 0.899 362 L HN 0.134 nan 8.230 nan 0.000 0.433 363 K N -0.325 120.011 120.400 -0.107 0.000 2.155 363 K HA -0.190 4.130 4.320 0.001 0.000 0.203 363 K C 2.005 178.564 176.600 -0.068 0.000 1.052 363 K CA 0.958 57.207 56.287 -0.063 0.000 0.948 363 K CB -0.062 32.406 32.500 -0.054 0.000 0.728 363 K HN 0.292 nan 8.250 nan 0.000 0.448 364 E N 0.259 120.389 120.200 -0.117 0.000 2.153 364 E HA -0.181 4.169 4.350 0.001 0.000 0.194 364 E C 0.990 177.633 176.600 0.073 0.000 0.988 364 E CA 0.975 57.342 56.400 -0.055 0.000 0.811 364 E CB 0.104 29.751 29.700 -0.087 0.000 0.746 364 E HN 0.302 nan 8.360 nan 0.000 0.466 365 Y N -0.374 119.880 120.300 -0.076 0.000 2.632 365 Y HA 0.144 4.694 4.550 0.000 0.000 0.301 365 Y C 1.782 177.586 175.900 -0.160 0.000 1.172 365 Y CA 0.742 58.772 58.100 -0.117 0.000 1.328 365 Y CB -0.266 38.114 38.460 -0.134 0.000 1.016 365 Y HN 0.249 nan 8.280 nan 0.000 0.529 366 G N -0.147 108.658 108.800 0.008 0.000 2.179 366 G HA2 -0.288 3.673 3.960 0.001 0.000 0.260 366 G HA3 -0.288 3.673 3.960 0.001 0.000 0.260 366 G C 0.220 175.053 174.900 -0.111 0.000 0.977 366 G CA 0.216 45.273 45.100 -0.071 0.000 0.641 366 G HN 0.300 nan 8.290 nan 0.000 0.533 367 L N -0.052 121.118 121.223 -0.089 0.000 2.453 367 L HA 0.464 4.805 4.340 0.001 0.000 0.261 367 L C 0.649 177.560 176.870 0.068 0.000 1.179 367 L CA -0.237 54.561 54.840 -0.071 0.000 0.813 367 L CB 0.526 42.550 42.059 -0.059 0.000 1.110 367 L HN -0.124 nan 8.230 nan 0.000 0.466 368 K N 2.132 122.636 120.400 0.174 0.000 2.606 368 K HA 0.356 4.676 4.320 0.001 0.000 0.196 368 K C -2.542 174.141 176.600 0.138 0.000 1.048 368 K CA -1.649 54.712 56.287 0.123 0.000 1.017 368 K CB 1.088 33.623 32.500 0.059 0.000 1.413 368 K HN 0.214 nan 8.250 nan 0.000 0.568 369 P HA 0.143 nan 4.420 nan 0.000 0.275 369 P C -0.222 176.998 177.300 -0.134 0.000 1.227 369 P CA 0.021 62.996 63.100 -0.208 0.000 0.781 369 P CB 0.939 32.531 31.700 -0.180 0.000 0.906 370 T N -0.420 114.035 114.554 -0.164 0.000 2.883 370 T HA 0.547 4.897 4.350 0.001 0.000 0.296 370 T C -0.307 174.345 174.700 -0.080 0.000 1.117 370 T CA -1.310 60.739 62.100 -0.085 0.000 1.006 370 T CB 1.248 70.091 68.868 -0.042 0.000 1.191 370 T HN 0.210 nan 8.240 nan 0.000 0.508 371 R N 1.205 121.678 120.500 -0.044 0.000 2.389 371 R HA 0.261 4.601 4.340 0.001 0.000 0.295 371 R C -2.151 174.141 176.300 -0.014 0.000 1.075 371 R CA -1.595 54.491 56.100 -0.024 0.000 1.005 371 R CB -0.153 30.139 30.300 -0.014 0.000 0.987 371 R HN 0.418 nan 8.270 nan 0.000 0.452 372 P HA -0.195 nan 4.420 nan 0.000 0.214 372 P C 0.118 177.421 177.300 0.005 0.000 1.169 372 P CA 1.555 64.657 63.100 0.003 0.000 0.908 372 P CB 0.272 31.975 31.700 0.005 0.000 0.791 373 D N -2.165 118.237 120.400 0.002 0.000 2.490 373 D HA 0.003 4.644 4.640 0.001 0.000 0.244 373 D C 1.913 178.215 176.300 0.004 0.000 0.979 373 D CA 0.522 54.524 54.000 0.003 0.000 0.924 373 D CB -0.160 40.640 40.800 -0.001 0.000 1.075 373 D HN -0.056 nan 8.370 nan 0.000 0.488 374 K N 0.770 121.170 120.400 0.001 0.000 2.097 374 K HA -0.023 4.298 4.320 0.001 0.000 0.205 374 K C 0.127 176.726 176.600 -0.002 0.000 1.050 374 K CA 1.173 57.460 56.287 -0.000 0.000 0.938 374 K CB -0.606 31.894 32.500 -0.001 0.000 0.718 374 K HN 0.404 nan 8.250 nan 0.000 0.442 375 T N 0.094 114.645 114.554 -0.004 0.000 0.542 375 T HA -0.204 4.146 4.350 0.001 0.000 0.774 375 T C -0.456 174.238 174.700 -0.009 0.000 0.992 375 T CA 0.498 62.595 62.100 -0.006 0.000 4.076 375 T CB -0.832 68.036 68.868 0.000 0.000 2.303 375 T HN 0.400 nan 8.240 nan 0.000 0.398 376 E N 0.024 120.216 120.200 -0.013 0.000 3.783 376 E HA 0.277 4.627 4.350 0.001 0.000 0.154 376 E C 0.367 176.956 176.600 -0.018 0.000 1.748 376 E CA 2.445 58.836 56.400 -0.015 0.000 0.854 376 E CB -1.344 28.349 29.700 -0.012 0.000 1.075 376 E HN 2.194 nan 8.360 nan 0.000 0.360 377 G N 1.490 110.276 108.800 -0.024 0.000 2.352 377 G HA2 0.386 4.346 3.960 0.001 0.000 0.305 377 G HA3 0.386 4.346 3.960 0.001 0.000 0.305 377 G C -2.880 171.998 174.900 -0.036 0.000 1.537 377 G CA -0.758 44.326 45.100 -0.027 0.000 0.959 377 G HN 0.183 nan 8.290 nan 0.000 0.668 378 P HA 0.316 nan 4.420 nan 0.000 0.269 378 P C 0.654 177.917 177.300 -0.062 0.000 1.215 378 P CA -0.521 62.545 63.100 -0.056 0.000 0.780 378 P CB 0.561 32.227 31.700 -0.056 0.000 0.898 379 L N 1.759 122.928 121.223 -0.088 0.000 2.559 379 L HA -0.021 4.319 4.340 0.001 0.000 0.282 379 L C -0.238 176.590 176.870 -0.070 0.000 1.232 379 L CA 0.199 54.981 54.840 -0.097 0.000 0.885 379 L CB 0.259 42.205 42.059 -0.189 0.000 1.131 379 L HN 0.093 nan 8.230 nan 0.000 0.498 380 V N 6.481 126.384 119.914 -0.018 0.000 2.407 380 V HA 0.306 4.426 4.120 0.001 0.000 0.278 380 V C 0.250 176.384 176.094 0.067 0.000 1.037 380 V CA -0.380 61.929 62.300 0.015 0.000 0.900 380 V CB 1.426 33.266 31.823 0.028 0.000 0.983 380 V HN 0.461 nan 8.190 nan 0.000 0.459 381 I N 3.899 124.508 120.570 0.064 0.000 2.321 381 I HA 0.381 4.551 4.170 0.001 0.000 0.291 381 I C 0.390 176.605 176.117 0.164 0.000 0.998 381 I CA 0.342 61.726 61.300 0.140 0.000 1.227 381 I CB 1.721 39.768 38.000 0.078 0.000 1.368 381 I HN 0.651 nan 8.210 nan 0.000 0.466 382 S N 4.068 119.899 115.700 0.218 0.000 2.593 382 S HA 0.356 4.826 4.470 0.001 0.000 0.297 382 S C 0.578 175.356 174.600 0.297 0.000 1.112 382 S CA -0.570 57.757 58.200 0.212 0.000 1.043 382 S CB 1.160 64.455 63.200 0.159 0.000 1.054 382 S HN 0.668 nan 8.310 nan 0.000 0.516 383 E N 1.215 121.559 120.200 0.240 0.000 2.474 383 E HA 0.123 4.473 4.350 0.001 0.000 0.195 383 E C -0.886 175.847 176.600 0.222 0.000 1.039 383 E CA 0.052 56.576 56.400 0.207 0.000 0.881 383 E CB 0.351 30.124 29.700 0.122 0.000 0.970 383 E HN 0.448 nan 8.360 nan 0.000 0.486 384 D N 0.702 121.224 120.400 0.203 0.000 2.549 384 D HA 0.070 4.711 4.640 0.001 0.000 0.251 384 D C 0.205 176.497 176.300 -0.014 0.000 1.153 384 D CA -0.527 53.542 54.000 0.115 0.000 0.861 384 D CB 1.746 42.595 40.800 0.082 0.000 1.207 384 D HN -0.085 nan 8.370 nan 0.000 0.543 385 L N 4.065 125.143 121.223 -0.242 0.000 2.275 385 L HA 0.134 4.474 4.340 0.001 0.000 0.215 385 L C 0.513 177.289 176.870 -0.156 0.000 1.119 385 L CA 0.918 55.435 54.840 -0.539 0.000 0.790 385 L CB -0.552 40.928 42.059 -0.965 0.000 0.919 385 L HN 0.409 nan 8.230 nan 0.000 0.443 386 N N 0.695 119.454 118.700 0.098 0.000 2.359 386 N HA 0.096 4.836 4.740 0.001 0.000 0.261 386 N C 1.153 176.635 175.510 -0.046 0.000 1.267 386 N CA 1.354 54.435 53.050 0.052 0.000 0.864 386 N CB 0.539 39.027 38.487 0.002 0.000 1.063 386 N HN 0.515 nan 8.380 nan 0.000 0.474 387 G N 1.710 110.455 108.800 -0.091 0.000 2.232 387 G HA2 -0.262 3.698 3.960 0.001 0.000 0.226 387 G HA3 -0.262 3.698 3.960 0.001 0.000 0.226 387 G C 0.167 175.006 174.900 -0.103 0.000 0.996 387 G CA -0.262 44.785 45.100 -0.088 0.000 0.626 387 G HN 0.475 nan 8.290 nan 0.000 0.509 388 L N 1.677 122.813 121.223 -0.145 0.000 2.473 388 L HA 0.569 4.910 4.340 0.001 0.000 0.268 388 L C 0.835 177.598 176.870 -0.177 0.000 1.215 388 L CA 0.956 55.701 54.840 -0.159 0.000 0.823 388 L CB 0.904 42.827 42.059 -0.227 0.000 1.099 388 L HN 0.166 nan 8.230 nan 0.000 0.483 389 T N 1.904 116.392 114.554 -0.110 0.000 2.861 389 T HA 0.581 4.932 4.350 0.001 0.000 0.287 389 T C -1.293 173.442 174.700 0.059 0.000 1.003 389 T CA -0.273 61.794 62.100 -0.055 0.000 0.977 389 T CB 1.024 69.876 68.868 -0.028 0.000 0.996 389 T HN 0.239 nan 8.240 nan 0.000 0.448 390 F N 3.348 123.217 119.950 -0.135 0.000 2.588 390 F HA 0.456 4.984 4.527 0.001 0.000 0.314 390 F C -0.076 175.709 175.800 -0.025 0.000 1.134 390 F CA -1.475 56.483 58.000 -0.070 0.000 0.961 390 F CB 0.931 39.900 39.000 -0.052 0.000 1.239 390 F HN 0.554 nan 8.300 nan 0.000 0.448 391 L N 6.097 126.985 121.223 -0.559 0.000 3.737 391 L HA -0.366 3.974 4.340 0.001 0.000 0.418 391 L C 0.819 177.572 176.870 -0.195 0.000 1.216 391 L CA 1.006 55.572 54.840 -0.457 0.000 0.915 391 L CB -1.280 40.472 42.059 -0.513 0.000 1.834 391 L HN 0.901 nan 8.230 nan 0.000 0.943 392 R N -2.413 118.012 120.500 -0.124 0.000 3.951 392 R HA -0.178 4.162 4.340 0.001 0.000 0.352 392 R C 0.195 176.482 176.300 -0.021 0.000 1.178 392 R CA 1.235 57.300 56.100 -0.058 0.000 0.949 392 R CB -0.754 29.515 30.300 -0.052 0.000 1.452 392 R HN 0.366 nan 8.270 nan 0.000 0.540 393 R N -0.096 120.400 120.500 -0.008 0.000 2.460 393 R HA 0.326 4.666 4.340 0.001 0.000 0.303 393 R C -0.428 175.845 176.300 -0.045 0.000 0.968 393 R CA -0.323 55.784 56.100 0.012 0.000 0.889 393 R CB 1.459 31.811 30.300 0.087 0.000 1.123 393 R HN -0.060 nan 8.270 nan 0.000 0.455 394 T N 2.898 117.407 114.554 -0.076 0.000 2.761 394 T HA 0.178 4.528 4.350 0.001 0.000 0.296 394 T C 0.062 174.615 174.700 -0.245 0.000 0.934 394 T CA -0.607 61.408 62.100 -0.142 0.000 1.091 394 T CB 0.474 69.272 68.868 -0.116 0.000 0.896 394 T HN 0.432 nan 8.240 nan 0.000 0.515 395 V N 2.888 122.592 119.914 -0.350 0.000 2.470 395 V HA 0.578 4.698 4.120 0.001 0.000 0.276 395 V C -0.028 175.906 176.094 -0.268 0.000 1.040 395 V CA -0.291 61.708 62.300 -0.502 0.000 1.008 395 V CB 0.194 31.454 31.823 -0.938 0.000 0.990 395 V HN 0.850 nan 8.190 nan 0.000 0.477 396 T N 6.010 120.357 114.554 -0.346 0.000 2.886 396 T HA 0.533 4.883 4.350 0.001 0.000 0.292 396 T C -0.461 173.887 174.700 -0.587 0.000 1.012 396 T CA -0.599 61.187 62.100 -0.524 0.000 0.982 396 T CB 1.764 70.078 68.868 -0.923 0.000 1.018 396 T HN 0.913 nan 8.240 nan 0.000 0.451 397 R N 2.545 122.582 120.500 -0.772 0.000 2.338 397 R HA 0.492 4.832 4.340 0.001 0.000 0.317 397 R C -1.103 174.953 176.300 -0.407 0.000 0.968 397 R CA -0.552 54.950 56.100 -0.997 0.000 0.849 397 R CB 0.714 29.920 30.300 -1.823 0.000 1.128 397 R HN 0.842 nan 8.270 nan 0.000 0.448 398 D N 4.021 124.357 120.400 -0.106 0.000 2.553 398 D HA 0.353 4.994 4.640 0.001 0.000 0.249 398 D C -2.025 174.273 176.300 -0.004 0.000 1.062 398 D CA -2.084 51.934 54.000 0.029 0.000 1.085 398 D CB 1.065 42.014 40.800 0.249 0.000 1.350 398 D HN 0.171 nan 8.370 nan 0.000 0.575 399 P HA -0.040 nan 4.420 nan 0.000 0.218 399 P C 0.977 178.309 177.300 0.053 0.000 1.146 399 P CA 2.230 65.343 63.100 0.020 0.000 0.813 399 P CB 0.014 31.734 31.700 0.033 0.000 0.778 400 A N -1.631 121.267 122.820 0.130 0.000 2.169 400 A HA 0.469 4.789 4.320 0.001 0.000 0.212 400 A C 1.181 178.867 177.584 0.171 0.000 1.153 400 A CA 1.173 53.316 52.037 0.178 0.000 0.756 400 A CB -0.577 18.657 19.000 0.391 0.000 0.813 400 A HN 0.354 nan 8.150 nan 0.000 0.471 401 G N -2.809 106.064 108.800 0.122 0.000 2.325 401 G HA2 0.163 4.124 3.960 0.001 0.000 0.285 401 G HA3 0.163 4.124 3.960 0.001 0.000 0.285 401 G C -1.355 173.622 174.900 0.129 0.000 1.303 401 G CA -0.716 44.459 45.100 0.126 0.000 0.970 401 G HN 0.322 nan 8.290 nan 0.000 0.490 402 W N 0.313 121.745 121.300 0.220 0.000 2.381 402 W HA 0.743 5.403 4.660 0.001 0.000 0.329 402 W C 0.310 177.043 176.519 0.357 0.000 1.157 402 W CA 0.056 57.530 57.345 0.216 0.000 1.240 402 W CB 1.315 30.889 29.460 0.189 0.000 1.199 402 W HN 0.661 nan 8.180 nan 0.000 0.579 403 F N 0.058 120.251 119.950 0.405 0.000 2.741 403 F HA 0.800 5.327 4.527 0.001 0.000 0.313 403 F C -0.287 175.721 175.800 0.348 0.000 1.153 403 F CA -2.219 55.950 58.000 0.281 0.000 0.931 403 F CB 0.526 39.541 39.000 0.024 0.000 1.335 403 F HN 0.424 nan 8.300 nan 0.000 0.460 404 G N 1.409 110.473 108.800 0.439 0.000 2.319 404 G HA2 0.488 4.449 3.960 0.001 0.000 0.308 404 G HA3 0.488 4.449 3.960 0.001 0.000 0.308 404 G C -1.558 173.445 174.900 0.172 0.000 1.117 404 G CA -0.872 44.396 45.100 0.280 0.000 0.903 404 G HN 0.813 nan 8.290 nan 0.000 0.436 405 K N 2.869 123.269 120.400 0.000 0.000 2.281 405 K HA 0.322 4.643 4.320 0.001 0.000 0.272 405 K C -0.057 176.561 176.600 0.030 0.000 1.048 405 K CA -0.808 55.467 56.287 -0.020 0.000 0.898 405 K CB 0.867 33.239 32.500 -0.214 0.000 1.128 405 K HN 0.365 nan 8.250 nan 0.000 0.460 406 L N 3.955 125.245 121.223 0.112 0.000 2.499 406 L HA 0.031 4.372 4.340 0.001 0.000 0.273 406 L C -0.162 176.829 176.870 0.202 0.000 1.195 406 L CA 0.687 55.611 54.840 0.140 0.000 0.882 406 L CB 0.318 42.466 42.059 0.148 0.000 1.133 406 L HN 0.638 nan 8.230 nan 0.000 0.483 407 E N 3.318 123.570 120.200 0.086 0.000 2.452 407 E HA -0.090 4.260 4.350 0.001 0.000 0.261 407 E C 0.748 177.321 176.600 -0.046 0.000 0.987 407 E CA 0.393 56.807 56.400 0.024 0.000 0.926 407 E CB 0.535 30.226 29.700 -0.015 0.000 0.934 407 E HN 0.675 nan 8.360 nan 0.000 0.452 408 Q N 1.277 120.928 119.800 -0.248 0.000 2.135 408 Q HA -0.214 4.127 4.340 0.001 0.000 0.204 408 Q C 2.177 178.142 176.000 -0.059 0.000 0.981 408 Q CA 1.829 57.365 55.803 -0.445 0.000 0.856 408 Q CB -0.060 28.190 28.738 -0.814 0.000 0.902 408 Q HN 0.627 nan 8.270 nan 0.000 0.425 409 S N -0.450 115.213 115.700 -0.061 0.000 2.402 409 S HA -0.076 4.395 4.470 0.001 0.000 0.229 409 S C 2.039 176.618 174.600 -0.034 0.000 1.021 409 S CA 1.206 59.386 58.200 -0.033 0.000 0.974 409 S CB -0.108 63.036 63.200 -0.094 0.000 0.800 409 S HN 0.134 nan 8.310 nan 0.000 0.484 410 S N 1.905 117.589 115.700 -0.027 0.000 2.383 410 S HA 0.133 4.604 4.470 0.001 0.000 0.227 410 S C 1.744 176.393 174.600 0.083 0.000 1.026 410 S CA 1.267 59.471 58.200 0.006 0.000 0.981 410 S CB -0.484 62.724 63.200 0.014 0.000 0.818 410 S HN 0.528 nan 8.310 nan 0.000 0.472 411 I N 1.231 121.879 120.570 0.129 0.000 2.202 411 I HA -0.174 3.997 4.170 0.001 0.000 0.242 411 I C 2.083 178.289 176.117 0.148 0.000 1.091 411 I CA 1.104 62.515 61.300 0.185 0.000 1.368 411 I CB -0.344 37.852 38.000 0.326 0.000 1.058 411 I HN 0.213 nan 8.210 nan 0.000 0.410 412 L N 0.062 121.393 121.223 0.180 0.000 2.046 412 L HA -0.218 4.122 4.340 0.001 0.000 0.208 412 L C 2.741 179.745 176.870 0.223 0.000 1.077 412 L CA 1.315 56.257 54.840 0.171 0.000 0.747 412 L CB -0.527 41.688 42.059 0.261 0.000 0.896 412 L HN 0.139 nan 8.230 nan 0.000 0.432 413 R N -0.265 120.364 120.500 0.215 0.000 2.119 413 R HA -0.240 4.100 4.340 0.001 0.000 0.246 413 R C 2.259 178.766 176.300 0.345 0.000 1.146 413 R CA 1.806 58.083 56.100 0.295 0.000 0.962 413 R CB -0.154 30.227 30.300 0.135 0.000 0.863 413 R HN 0.472 nan 8.270 nan 0.000 0.442 414 Q N -1.015 118.913 119.800 0.213 0.000 2.435 414 Q HA -0.021 4.319 4.340 0.001 0.000 0.207 414 Q C 1.793 177.839 176.000 0.077 0.000 0.956 414 Q CA 0.487 56.405 55.803 0.193 0.000 0.917 414 Q CB 0.262 29.093 28.738 0.154 0.000 0.997 414 Q HN 0.277 nan 8.270 nan 0.000 0.497 415 M N -0.931 118.630 119.600 -0.065 0.000 2.175 415 M HA -0.117 4.363 4.480 0.001 0.000 0.264 415 M C 1.103 177.163 176.300 -0.399 0.000 1.063 415 M CA 1.647 56.748 55.300 -0.332 0.000 1.119 415 M CB -0.602 31.622 32.600 -0.627 0.000 1.377 415 M HN 0.236 nan 8.290 nan 0.000 0.415 416 Y N -2.867 117.419 120.300 -0.023 0.000 2.497 416 Y HA 0.063 4.613 4.550 0.001 0.000 0.265 416 Y C 0.101 175.794 175.900 -0.346 0.000 1.111 416 Y CA -0.407 57.560 58.100 -0.221 0.000 1.288 416 Y CB 0.020 38.290 38.460 -0.317 0.000 1.082 416 Y HN 0.101 nan 8.280 nan 0.000 0.536 417 W N -0.729 120.720 121.300 0.247 0.000 2.785 417 W HA 0.562 5.223 4.660 0.001 0.000 0.333 417 W C -0.160 176.518 176.519 0.265 0.000 1.062 417 W CA -0.805 56.715 57.345 0.293 0.000 1.233 417 W CB 1.880 31.541 29.460 0.335 0.000 1.413 417 W HN -0.467 nan 8.180 nan 0.000 0.489 418 T N 1.701 116.569 114.554 0.524 0.000 2.883 418 T HA 0.611 4.961 4.350 0.001 0.000 0.296 418 T C -0.729 174.124 174.700 0.254 0.000 1.117 418 T CA -0.786 61.495 62.100 0.302 0.000 1.006 418 T CB 1.156 70.112 68.868 0.146 0.000 1.191 418 T HN 0.408 nan 8.240 nan 0.000 0.508 419 R N 0.453 120.976 120.500 0.039 0.000 2.457 419 R HA 0.713 5.053 4.340 0.001 0.000 0.284 419 R C 0.453 176.732 176.300 -0.035 0.000 1.024 419 R CA -0.044 56.012 56.100 -0.073 0.000 1.025 419 R CB 1.377 31.556 30.300 -0.203 0.000 1.063 419 R HN 0.827 nan 8.270 nan 0.000 0.493 420 G N 1.595 110.449 108.800 0.089 0.000 2.731 420 G HA2 0.446 4.407 3.960 0.001 0.000 0.309 420 G HA3 0.446 4.407 3.960 0.001 0.000 0.309 420 G C -2.776 172.227 174.900 0.172 0.000 1.273 420 G CA -0.796 44.275 45.100 -0.048 0.000 0.798 420 G HN 0.431 nan 8.290 nan 0.000 0.509 421 P HA 0.250 nan 4.420 nan 0.000 0.276 421 P C -0.809 176.769 177.300 0.463 0.000 1.261 421 P CA -0.662 62.590 63.100 0.253 0.000 0.800 421 P CB 0.645 32.438 31.700 0.155 0.000 1.066 422 N N 0.847 119.725 118.700 0.297 0.000 2.475 422 N HA 0.111 4.852 4.740 0.001 0.000 0.267 422 N C 0.361 176.059 175.510 0.313 0.000 1.169 422 N CA 0.330 53.534 53.050 0.255 0.000 0.947 422 N CB -0.226 38.340 38.487 0.132 0.000 1.061 422 N HN 0.676 nan 8.380 nan 0.000 0.466 423 H N -1.784 117.272 119.070 -0.024 0.000 2.942 423 H HA 0.456 5.012 4.556 0.001 0.000 0.316 423 H C -0.651 174.566 175.328 -0.185 0.000 1.323 423 H CA -0.834 55.144 56.048 -0.116 0.000 1.144 423 H CB 1.324 30.904 29.762 -0.305 0.000 1.866 423 H HN 0.323 nan 8.280 nan 0.000 0.545 424 E N -0.686 119.303 120.200 -0.351 0.000 2.630 424 E HA 0.081 4.431 4.350 0.001 0.000 0.218 424 E C -0.753 175.646 176.600 -0.334 0.000 0.977 424 E CA -0.008 56.188 56.400 -0.340 0.000 1.038 424 E CB 0.939 30.543 29.700 -0.160 0.000 1.051 424 E HN 0.400 nan 8.360 nan 0.000 0.487 425 D N 0.918 121.091 120.400 -0.379 0.000 2.408 425 D HA 0.165 4.806 4.640 0.001 0.000 0.261 425 D C -2.216 174.031 176.300 -0.087 0.000 1.190 425 D CA -2.398 51.513 54.000 -0.148 0.000 0.910 425 D CB 1.465 42.271 40.800 0.010 0.000 1.097 425 D HN -0.205 nan 8.370 nan 0.000 0.522 426 P HA -0.052 nan 4.420 nan 0.000 0.239 426 P C 1.092 178.601 177.300 0.348 0.000 1.184 426 P CA 0.579 63.783 63.100 0.173 0.000 0.760 426 P CB 0.209 31.975 31.700 0.110 0.000 0.884 427 S N -2.459 113.368 115.700 0.211 0.000 2.527 427 S HA 0.020 4.490 4.470 0.001 0.000 0.222 427 S C 0.919 175.625 174.600 0.176 0.000 0.985 427 S CA 0.103 58.409 58.200 0.177 0.000 0.921 427 S CB -0.535 62.740 63.200 0.125 0.000 0.772 427 S HN 0.016 nan 8.310 nan 0.000 0.529 428 E N 2.891 123.228 120.200 0.228 0.000 2.373 428 E HA 0.237 4.587 4.350 0.001 0.000 0.263 428 E C -0.012 176.839 176.600 0.418 0.000 1.073 428 E CA 0.128 56.707 56.400 0.297 0.000 0.894 428 E CB 1.266 31.180 29.700 0.356 0.000 1.008 428 E HN 0.542 nan 8.360 nan 0.000 0.420 429 T N -0.682 114.075 114.554 0.338 0.000 2.882 429 T HA 0.438 4.789 4.350 0.001 0.000 0.287 429 T C 0.321 175.130 174.700 0.181 0.000 0.992 429 T CA -0.936 61.320 62.100 0.259 0.000 1.076 429 T CB 1.000 69.931 68.868 0.106 0.000 0.961 429 T HN 0.273 nan 8.240 nan 0.000 0.490 430 M N 3.663 123.293 119.600 0.049 0.000 2.240 430 M HA 0.435 4.915 4.480 0.001 0.000 0.333 430 M C -0.091 176.078 176.300 -0.219 0.000 1.110 430 M CA -1.434 53.648 55.300 -0.363 0.000 1.173 430 M CB -0.137 32.282 32.600 -0.301 0.000 1.458 430 M HN 0.752 nan 8.290 nan 0.000 0.458 431 I N 1.593 122.001 120.570 -0.270 0.000 2.945 431 I HA 0.479 4.649 4.170 0.001 0.000 0.292 431 I C -2.084 173.987 176.117 -0.076 0.000 1.093 431 I CA -2.019 59.197 61.300 -0.140 0.000 1.336 431 I CB -0.262 37.657 38.000 -0.135 0.000 1.435 431 I HN 0.505 nan 8.210 nan 0.000 0.593 432 P HA 0.002 nan 4.420 nan 0.000 0.261 432 P C -0.987 176.322 177.300 0.015 0.000 1.173 432 P CA 0.700 63.791 63.100 -0.015 0.000 0.760 432 P CB 0.132 31.817 31.700 -0.025 0.000 0.783 433 H N 1.243 120.275 119.070 -0.062 0.000 2.806 433 H HA 0.162 4.719 4.556 0.001 0.000 0.367 433 H C 1.032 176.342 175.328 -0.030 0.000 1.136 433 H CA -0.212 55.803 56.048 -0.055 0.000 1.178 433 H CB 2.137 31.856 29.762 -0.071 0.000 1.718 433 H HN 0.376 nan 8.280 nan 0.000 0.540 434 S N 2.880 118.417 115.700 -0.272 0.000 2.399 434 S HA -0.265 4.205 4.470 0.001 0.000 0.231 434 S C 1.667 176.322 174.600 0.090 0.000 1.022 434 S CA 1.596 59.746 58.200 -0.083 0.000 0.983 434 S CB -0.141 62.964 63.200 -0.158 0.000 0.803 434 S HN 0.731 nan 8.310 nan 0.000 0.480 435 Q N 1.204 121.189 119.800 0.307 0.000 2.297 435 Q HA 0.114 4.454 4.340 0.001 0.000 0.204 435 Q C 1.994 178.066 176.000 0.121 0.000 0.962 435 Q CA 1.178 57.103 55.803 0.204 0.000 0.879 435 Q CB -0.420 28.430 28.738 0.187 0.000 0.947 435 Q HN 0.501 nan 8.270 nan 0.000 0.462 436 R N 1.025 121.602 120.500 0.129 0.000 2.066 436 R HA 0.040 4.381 4.340 0.001 0.000 0.232 436 R C -0.763 175.535 176.300 -0.003 0.000 1.131 436 R CA 1.237 57.364 56.100 0.045 0.000 0.955 436 R CB -1.331 28.991 30.300 0.036 0.000 0.851 436 R HN 0.347 nan 8.270 nan 0.000 0.432 437 P HA -0.073 nan 4.420 nan 0.000 0.220 437 P C 0.935 178.291 177.300 0.094 0.000 1.148 437 P CA 1.253 64.358 63.100 0.010 0.000 0.803 437 P CB -0.005 31.796 31.700 0.168 0.000 0.782 438 I N -0.766 119.860 120.570 0.093 0.000 2.202 438 I HA -0.241 3.929 4.170 0.001 0.000 0.242 438 I C 2.714 178.857 176.117 0.043 0.000 1.091 438 I CA 1.383 62.733 61.300 0.083 0.000 1.368 438 I CB -0.572 37.463 38.000 0.058 0.000 1.058 438 I HN -0.017 nan 8.210 nan 0.000 0.410 439 Q N 1.150 120.965 119.800 0.025 0.000 2.084 439 Q HA -0.215 4.126 4.340 0.001 0.000 0.202 439 Q C 2.369 178.377 176.000 0.013 0.000 0.978 439 Q CA 1.644 57.458 55.803 0.018 0.000 0.844 439 Q CB -0.041 28.711 28.738 0.023 0.000 0.898 439 Q HN 0.510 nan 8.270 nan 0.000 0.426 440 L N -0.019 121.180 121.223 -0.040 0.000 2.093 440 L HA -0.192 4.148 4.340 0.001 0.000 0.208 440 L C 2.603 179.456 176.870 -0.030 0.000 1.085 440 L CA 0.816 55.590 54.840 -0.111 0.000 0.755 440 L CB -0.327 41.547 42.059 -0.308 0.000 0.904 440 L HN 0.361 nan 8.230 nan 0.000 0.435 441 M N 0.168 119.816 119.600 0.079 0.000 2.086 441 M HA -0.199 4.282 4.480 0.001 0.000 0.261 441 M C 2.627 179.061 176.300 0.224 0.000 1.067 441 M CA 2.297 57.752 55.300 0.257 0.000 1.116 441 M CB -0.418 32.390 32.600 0.347 0.000 1.348 441 M HN 0.313 nan 8.290 nan 0.000 0.407 442 S N -0.336 115.432 115.700 0.115 0.000 2.382 442 S HA -0.132 4.338 4.470 0.001 0.000 0.228 442 S C 1.972 176.768 174.600 0.327 0.000 1.027 442 S CA 1.452 59.704 58.200 0.086 0.000 0.991 442 S CB -1.159 61.895 63.200 -0.243 0.000 0.823 442 S HN 0.612 nan 8.310 nan 0.000 0.469 443 L N 0.529 121.882 121.223 0.217 0.000 2.093 443 L HA 0.033 4.373 4.340 0.001 0.000 0.208 443 L C 2.634 179.638 176.870 0.224 0.000 1.085 443 L CA 0.910 55.878 54.840 0.213 0.000 0.755 443 L CB -0.575 41.547 42.059 0.103 0.000 0.904 443 L HN 0.303 nan 8.230 nan 0.000 0.435 444 L N -0.467 120.876 121.223 0.199 0.000 2.046 444 L HA -0.142 4.199 4.340 0.001 0.000 0.208 444 L C 2.673 179.819 176.870 0.461 0.000 1.077 444 L CA 1.364 56.352 54.840 0.247 0.000 0.747 444 L CB -1.048 41.139 42.059 0.214 0.000 0.896 444 L HN 0.317 nan 8.230 nan 0.000 0.432 445 G N -0.542 108.544 108.800 0.477 0.000 2.469 445 G HA2 -0.247 3.714 3.960 0.001 0.000 0.219 445 G HA3 -0.247 3.714 3.960 0.001 0.000 0.219 445 G C 1.447 176.587 174.900 0.399 0.000 1.150 445 G CA 0.577 45.992 45.100 0.525 0.000 0.763 445 G HN 0.326 nan 8.290 nan 0.000 0.561 446 E N 0.859 121.295 120.200 0.393 0.000 2.106 446 E HA -0.044 4.306 4.350 0.001 0.000 0.192 446 E C 2.930 179.800 176.600 0.450 0.000 0.984 446 E CA 0.939 57.523 56.400 0.308 0.000 0.806 446 E CB -0.457 29.421 29.700 0.296 0.000 0.750 446 E HN 0.395 nan 8.360 nan 0.000 0.458 447 A N 1.638 124.769 122.820 0.519 0.000 1.972 447 A HA -0.040 4.280 4.320 0.001 0.000 0.219 447 A C 2.405 180.433 177.584 0.739 0.000 1.169 447 A CA 1.625 54.076 52.037 0.691 0.000 0.635 447 A CB -0.430 18.774 19.000 0.341 0.000 0.810 447 A HN 0.251 nan 8.150 nan 0.000 0.446 448 A N -0.208 122.954 122.820 0.570 0.000 2.019 448 A HA 0.021 4.341 4.320 0.001 0.000 0.219 448 A C 1.891 179.650 177.584 0.292 0.000 1.164 448 A CA 1.231 53.426 52.037 0.263 0.000 0.644 448 A CB -0.532 18.537 19.000 0.115 0.000 0.805 448 A HN 0.491 nan 8.150 nan 0.000 0.449 449 L N -0.513 120.877 121.223 0.278 0.000 2.610 449 L HA 0.021 4.361 4.340 0.001 0.000 0.232 449 L C 1.144 178.076 176.870 0.102 0.000 1.149 449 L CA 0.015 54.966 54.840 0.185 0.000 0.872 449 L CB -0.545 41.560 42.059 0.077 0.000 0.992 449 L HN 0.452 nan 8.230 nan 0.000 0.447 450 H N -0.624 118.617 119.070 0.286 0.000 2.889 450 H HA 0.360 4.916 4.556 0.001 0.000 0.279 450 H C 0.263 175.711 175.328 0.201 0.000 1.553 450 H CA -0.182 55.998 56.048 0.220 0.000 1.593 450 H CB 0.654 30.536 29.762 0.200 0.000 1.718 450 H HN 0.008 nan 8.280 nan 0.000 0.901 451 G N 0.302 109.302 108.800 0.332 0.000 2.606 451 G HA2 0.074 4.035 3.960 0.001 0.000 0.252 451 G HA3 0.074 4.035 3.960 0.001 0.000 0.252 451 G C -1.511 173.535 174.900 0.243 0.000 1.206 451 G CA -0.953 44.274 45.100 0.211 0.000 0.861 451 G HN 0.351 nan 8.290 nan 0.000 0.561 452 P HA -0.141 nan 4.420 nan 0.000 0.218 452 P C 1.953 179.360 177.300 0.178 0.000 1.149 452 P CA 1.730 64.924 63.100 0.156 0.000 0.817 452 P CB 0.099 31.845 31.700 0.077 0.000 0.785 453 A N -0.143 122.770 122.820 0.155 0.000 1.892 453 A HA -0.224 4.097 4.320 0.001 0.000 0.218 453 A C 2.175 179.863 177.584 0.173 0.000 1.188 453 A CA 1.743 53.863 52.037 0.138 0.000 0.631 453 A CB -1.885 17.191 19.000 0.127 0.000 0.822 453 A HN 0.158 nan 8.150 nan 0.000 0.447 454 F N -1.417 118.587 119.950 0.090 0.000 2.186 454 F HA -0.100 4.428 4.527 0.001 0.000 0.299 454 F C 2.098 177.956 175.800 0.098 0.000 1.090 454 F CA 1.503 59.542 58.000 0.065 0.000 1.307 454 F CB -0.485 38.537 39.000 0.037 0.000 1.019 454 F HN 0.362 nan 8.300 nan 0.000 0.489 455 Y N 0.216 120.545 120.300 0.049 0.000 2.145 455 Y HA -0.222 4.329 4.550 0.001 0.000 0.286 455 Y C 2.951 178.787 175.900 -0.108 0.000 1.145 455 Y CA 1.902 59.981 58.100 -0.035 0.000 1.148 455 Y CB -0.990 37.513 38.460 0.070 0.000 0.981 455 Y HN 0.173 nan 8.280 nan 0.000 0.507 456 S N -0.101 115.590 115.700 -0.016 0.000 2.370 456 S HA -0.284 4.186 4.470 0.001 0.000 0.226 456 S C 2.235 176.722 174.600 -0.189 0.000 1.033 456 S CA 1.821 59.966 58.200 -0.093 0.000 1.011 456 S CB -0.569 62.631 63.200 0.000 0.000 0.852 456 S HN 0.581 nan 8.310 nan 0.000 0.457 457 K N 0.223 120.504 120.400 -0.198 0.000 2.026 457 K HA -0.078 4.242 4.320 0.001 0.000 0.208 457 K C 2.035 178.425 176.600 -0.349 0.000 1.048 457 K CA 1.714 57.863 56.287 -0.229 0.000 0.929 457 K CB -0.283 32.104 32.500 -0.189 0.000 0.713 457 K HN 0.384 nan 8.250 nan 0.000 0.439 458 I N 1.529 121.773 120.570 -0.544 0.000 2.226 458 I HA -0.207 3.963 4.170 0.001 0.000 0.245 458 I C 2.254 178.117 176.117 -0.423 0.000 1.100 458 I CA 1.177 62.160 61.300 -0.527 0.000 1.374 458 I CB -1.358 36.271 38.000 -0.617 0.000 1.057 458 I HN 0.165 nan 8.210 nan 0.000 0.413 459 S N 1.017 116.429 115.700 -0.480 0.000 2.365 459 S HA -0.232 4.239 4.470 0.001 0.000 0.225 459 S C 1.960 176.418 174.600 -0.236 0.000 1.039 459 S CA 1.522 59.497 58.200 -0.375 0.000 1.033 459 S CB -0.257 62.714 63.200 -0.382 0.000 0.887 459 S HN 0.459 nan 8.310 nan 0.000 0.447 460 K N 0.760 121.037 120.400 -0.205 0.000 2.057 460 K HA 0.027 4.347 4.320 0.001 0.000 0.206 460 K C 2.130 178.642 176.600 -0.147 0.000 1.050 460 K CA 0.937 57.140 56.287 -0.141 0.000 0.935 460 K CB -0.402 32.033 32.500 -0.109 0.000 0.715 460 K HN 0.291 nan 8.250 nan 0.000 0.439 461 L N 0.668 121.777 121.223 -0.191 0.000 2.012 461 L HA -0.222 4.118 4.340 0.001 0.000 0.210 461 L C 2.424 179.159 176.870 -0.225 0.000 1.073 461 L CA 1.103 55.814 54.840 -0.214 0.000 0.748 461 L CB -0.626 41.253 42.059 -0.300 0.000 0.891 461 L HN 0.006 nan 8.230 nan 0.000 0.431 462 V N 0.264 120.024 119.914 -0.257 0.000 2.255 462 V HA -0.321 3.800 4.120 0.001 0.000 0.247 462 V C 2.344 178.293 176.094 -0.241 0.000 1.051 462 V CA 2.054 64.175 62.300 -0.299 0.000 1.018 462 V CB -0.324 31.276 31.823 -0.371 0.000 0.641 462 V HN 0.295 nan 8.190 nan 0.000 0.445 463 I N 0.219 120.699 120.570 -0.150 0.000 2.163 463 I HA -0.294 3.876 4.170 0.001 0.000 0.243 463 I C 2.630 178.711 176.117 -0.060 0.000 1.085 463 I CA 1.667 62.933 61.300 -0.057 0.000 1.347 463 I CB -0.569 37.418 38.000 -0.023 0.000 1.044 463 I HN 0.308 nan 8.210 nan 0.000 0.408 464 A N 0.134 122.907 122.820 -0.078 0.000 1.877 464 A HA -0.283 4.037 4.320 0.001 0.000 0.216 464 A C 2.320 179.866 177.584 -0.064 0.000 1.186 464 A CA 1.991 53.992 52.037 -0.060 0.000 0.620 464 A CB -0.750 18.215 19.000 -0.058 0.000 0.822 464 A HN 0.518 nan 8.150 nan 0.000 0.443 465 E N -0.102 120.039 120.200 -0.098 0.000 2.070 465 E HA -0.210 4.141 4.350 0.001 0.000 0.197 465 E C 1.914 178.468 176.600 -0.075 0.000 1.004 465 E CA 1.530 57.873 56.400 -0.095 0.000 0.805 465 E CB -0.245 29.373 29.700 -0.136 0.000 0.744 465 E HN 0.621 nan 8.360 nan 0.000 0.451 466 L N 0.473 121.642 121.223 -0.089 0.000 2.156 466 L HA -0.087 4.253 4.340 0.001 0.000 0.208 466 L C 2.805 179.670 176.870 -0.009 0.000 1.095 466 L CA 0.858 55.667 54.840 -0.051 0.000 0.770 466 L CB -0.372 41.650 42.059 -0.061 0.000 0.914 466 L HN 0.131 nan 8.230 nan 0.000 0.439 467 K N 0.791 121.186 120.400 -0.007 0.000 2.057 467 K HA -0.257 4.063 4.320 0.001 0.000 0.207 467 K C 1.990 178.588 176.600 -0.004 0.000 1.049 467 K CA 1.633 57.922 56.287 0.003 0.000 0.931 467 K CB 0.028 32.528 32.500 0.001 0.000 0.714 467 K HN 0.254 nan 8.250 nan 0.000 0.440 468 E N -0.721 119.471 120.200 -0.013 0.000 2.160 468 E HA -0.144 4.207 4.350 0.001 0.000 0.195 468 E C 1.370 177.964 176.600 -0.010 0.000 0.991 468 E CA 1.251 57.644 56.400 -0.012 0.000 0.810 468 E CB -0.118 29.572 29.700 -0.017 0.000 0.742 468 E HN 0.478 nan 8.360 nan 0.000 0.466 469 G N -1.003 107.789 108.800 -0.012 0.000 3.233 469 G HA2 0.211 4.171 3.960 0.001 0.000 0.227 469 G HA3 0.211 4.171 3.960 0.001 0.000 0.227 469 G C 0.864 175.762 174.900 -0.004 0.000 1.175 469 G CA 0.164 45.257 45.100 -0.011 0.000 0.781 469 G HN 0.448 nan 8.290 nan 0.000 0.542 470 G N -0.353 108.448 108.800 0.001 0.000 2.136 470 G HA2 -0.285 3.675 3.960 0.001 0.000 0.242 470 G HA3 -0.285 3.675 3.960 0.001 0.000 0.242 470 G C 0.174 175.085 174.900 0.018 0.000 0.989 470 G CA 0.399 45.503 45.100 0.007 0.000 0.682 470 G HN 0.536 nan 8.290 nan 0.000 0.522 471 M N 1.485 121.102 119.600 0.029 0.000 2.227 471 M HA 0.370 4.851 4.480 0.001 0.000 0.335 471 M C -1.141 175.208 176.300 0.082 0.000 1.053 471 M CA -0.716 54.618 55.300 0.057 0.000 0.973 471 M CB 0.848 33.493 32.600 0.074 0.000 1.623 471 M HN 0.050 nan 8.290 nan 0.000 0.434 472 D N 5.178 125.629 120.400 0.085 0.000 2.313 472 D HA 0.206 4.846 4.640 0.001 0.000 0.239 472 D C -1.362 175.033 176.300 0.158 0.000 1.142 472 D CA 0.214 54.274 54.000 0.101 0.000 0.847 472 D CB 0.917 41.753 40.800 0.060 0.000 1.082 472 D HN 0.419 nan 8.370 nan 0.000 0.480 473 F N 3.274 123.236 119.950 0.021 0.000 2.426 473 F HA 0.219 4.746 4.527 0.001 0.000 0.348 473 F C -0.693 175.137 175.800 0.050 0.000 1.124 473 F CA -1.178 56.842 58.000 0.033 0.000 1.008 473 F CB 0.876 39.876 39.000 -0.001 0.000 1.139 473 F HN 0.215 nan 8.300 nan 0.000 0.452 474 Y N 6.698 126.740 120.300 -0.430 0.000 2.436 474 Y HA 0.463 5.013 4.550 0.001 0.000 0.343 474 Y C -0.876 174.798 175.900 -0.377 0.000 1.008 474 Y CA -0.495 57.417 58.100 -0.313 0.000 1.241 474 Y CB 0.579 38.871 38.460 -0.281 0.000 1.153 474 Y HN 0.337 nan 8.280 nan 0.000 0.521 475 V N 10.004 129.561 119.914 -0.595 0.000 2.408 475 V HA 0.218 4.338 4.120 0.001 0.000 0.267 475 V C -1.929 173.762 176.094 -0.672 0.000 1.047 475 V CA -1.849 60.242 62.300 -0.348 0.000 0.937 475 V CB 0.552 32.292 31.823 -0.139 0.000 0.999 475 V HN 0.753 nan 8.190 nan 0.000 0.472 476 P HA 0.113 nan 4.420 nan 0.000 0.265 476 P C 0.204 177.430 177.300 -0.124 0.000 1.193 476 P CA -0.048 62.849 63.100 -0.338 0.000 0.765 476 P CB 0.400 31.872 31.700 -0.380 0.000 0.823 477 R N 2.166 122.582 120.500 -0.140 0.000 2.811 477 R HA -0.069 4.272 4.340 0.001 0.000 0.265 477 R C 1.543 177.787 176.300 -0.093 0.000 1.026 477 R CA 0.280 56.352 56.100 -0.046 0.000 1.142 477 R CB 0.121 30.393 30.300 -0.047 0.000 1.027 477 R HN 0.613 nan 8.270 nan 0.000 0.465 478 Q N 1.434 121.104 119.800 -0.217 0.000 2.084 478 Q HA -0.234 4.106 4.340 0.001 0.000 0.202 478 Q C 1.771 177.653 176.000 -0.196 0.000 0.978 478 Q CA 1.991 57.465 55.803 -0.548 0.000 0.844 478 Q CB 0.084 28.445 28.738 -0.629 0.000 0.898 478 Q HN 0.653 nan 8.270 nan 0.000 0.426 479 E N -0.389 119.759 120.200 -0.087 0.000 2.031 479 E HA -0.154 4.197 4.350 0.001 0.000 0.193 479 E C -0.888 175.809 176.600 0.161 0.000 0.994 479 E CA 1.415 57.832 56.400 0.027 0.000 0.800 479 E CB -0.374 29.331 29.700 0.009 0.000 0.752 479 E HN 0.359 nan 8.360 nan 0.000 0.447 480 P HA -0.146 nan 4.420 nan 0.000 0.217 480 P C 1.287 178.817 177.300 0.383 0.000 1.150 480 P CA 1.177 64.416 63.100 0.231 0.000 0.832 480 P CB -0.057 31.697 31.700 0.090 0.000 0.787 481 M N -1.443 118.328 119.600 0.284 0.000 2.132 481 M HA -0.086 4.395 4.480 0.001 0.000 0.263 481 M C 1.880 178.385 176.300 0.342 0.000 1.065 481 M CA 1.676 57.234 55.300 0.429 0.000 1.122 481 M CB -1.415 31.356 32.600 0.285 0.000 1.365 481 M HN -0.161 nan 8.290 nan 0.000 0.411 482 F N 0.351 120.327 119.950 0.043 0.000 2.186 482 F HA -0.131 4.397 4.527 0.001 0.000 0.299 482 F C 2.142 177.871 175.800 -0.117 0.000 1.090 482 F CA 1.632 59.580 58.000 -0.086 0.000 1.307 482 F CB -0.249 38.673 39.000 -0.130 0.000 1.019 482 F HN 0.062 nan 8.300 nan 0.000 0.489 483 R N -0.198 120.437 120.500 0.224 0.000 2.092 483 R HA -0.225 4.116 4.340 0.001 0.000 0.231 483 R C 2.324 178.727 176.300 0.171 0.000 1.119 483 R CA 1.665 57.911 56.100 0.242 0.000 0.970 483 R CB -1.197 29.344 30.300 0.401 0.000 0.864 483 R HN 0.601 nan 8.270 nan 0.000 0.440 484 W N 0.913 122.256 121.300 0.072 0.000 2.379 484 W HA -0.210 4.451 4.660 0.001 0.000 0.307 484 W C 1.693 178.165 176.519 -0.079 0.000 1.200 484 W CA 0.732 58.101 57.345 0.040 0.000 1.297 484 W CB -0.115 29.418 29.460 0.122 0.000 1.140 484 W HN -0.006 nan 8.180 nan 0.000 0.507 485 M N 1.129 120.536 119.600 -0.321 0.000 2.067 485 M HA -0.169 4.311 4.480 0.001 0.000 0.260 485 M C 2.361 178.240 176.300 -0.701 0.000 1.069 485 M CA 2.001 56.980 55.300 -0.535 0.000 1.117 485 M CB -0.818 31.567 32.600 -0.358 0.000 1.334 485 M HN -0.163 nan 8.290 nan 0.000 0.407 486 R N -1.906 118.017 120.500 -0.961 0.000 2.100 486 R HA 0.018 4.358 4.340 0.001 0.000 0.220 486 R C 1.006 176.805 176.300 -0.835 0.000 1.091 486 R CA 0.962 56.362 56.100 -1.167 0.000 0.986 486 R CB 0.165 29.296 30.300 -1.948 0.000 0.888 486 R HN 0.341 nan 8.270 nan 0.000 0.444 487 F N -0.996 118.775 119.950 -0.297 0.000 2.728 487 F HA 0.309 4.836 4.527 0.001 0.000 0.314 487 F C 0.781 176.505 175.800 -0.128 0.000 1.094 487 F CA -0.524 57.375 58.000 -0.168 0.000 1.217 487 F CB 0.412 39.359 39.000 -0.089 0.000 1.056 487 F HN -0.249 nan 8.300 nan 0.000 0.577 488 S N 0.657 116.292 115.700 -0.108 0.000 3.561 488 S HA -0.253 4.217 4.470 0.001 0.000 0.318 488 S C -0.083 174.706 174.600 0.315 0.000 1.181 488 S CA 0.981 59.122 58.200 -0.098 0.000 0.916 488 S CB -1.638 61.480 63.200 -0.137 0.000 0.966 488 S HN 0.626 nan 8.310 nan 0.000 0.550 489 D N 0.044 120.659 120.400 0.358 0.000 2.210 489 D HA 0.549 5.189 4.640 0.001 0.000 0.249 489 D C 0.575 177.104 176.300 0.381 0.000 1.078 489 D CA -0.468 53.732 54.000 0.332 0.000 0.875 489 D CB 0.566 41.542 40.800 0.294 0.000 1.175 489 D HN 0.222 nan 8.370 nan 0.000 0.440 490 L N 2.606 123.979 121.223 0.249 0.000 3.333 490 L HA 0.110 4.451 4.340 0.001 0.000 0.299 490 L C 1.694 178.678 176.870 0.190 0.000 1.256 490 L CA -0.080 54.869 54.840 0.182 0.000 1.037 490 L CB 0.289 42.310 42.059 -0.064 0.000 1.423 490 L HN 0.444 nan 8.230 nan 0.000 0.605 491 S N -1.469 114.334 115.700 0.173 0.000 2.423 491 S HA -0.143 4.327 4.470 0.001 0.000 0.231 491 S C 1.697 176.381 174.600 0.141 0.000 1.014 491 S CA 1.439 59.718 58.200 0.132 0.000 0.965 491 S CB -0.557 62.706 63.200 0.103 0.000 0.785 491 S HN 0.506 nan 8.310 nan 0.000 0.495 492 T N -3.261 111.400 114.554 0.179 0.000 3.134 492 T HA 0.174 4.524 4.350 0.001 0.000 0.260 492 T C 0.122 174.923 174.700 0.168 0.000 1.027 492 T CA -0.769 61.418 62.100 0.146 0.000 0.913 492 T CB -0.410 68.532 68.868 0.122 0.000 1.046 492 T HN 0.517 nan 8.240 nan 0.000 0.553 493 W N 2.816 124.137 121.300 0.034 0.000 2.210 493 W HA 0.285 4.945 4.660 0.001 0.000 0.330 493 W C -0.656 175.861 176.519 -0.003 0.000 1.334 493 W CA -0.107 57.245 57.345 0.012 0.000 1.227 493 W CB 0.384 29.814 29.460 -0.049 0.000 1.178 493 W HN 0.301 nan 8.180 nan 0.000 0.560 494 E N 3.286 123.268 120.200 -0.363 0.000 2.174 494 E HA 0.436 4.786 4.350 0.001 0.000 0.282 494 E C 0.586 177.076 176.600 -0.183 0.000 0.992 494 E CA 0.300 56.565 56.400 -0.225 0.000 0.803 494 E CB 1.103 30.656 29.700 -0.245 0.000 1.090 494 E HN 0.732 nan 8.360 nan 0.000 0.396 495 G N 3.875 112.647 108.800 -0.047 0.000 2.642 495 G HA2 -0.283 3.678 3.960 0.001 0.000 0.231 495 G HA3 -0.283 3.678 3.960 0.001 0.000 0.231 495 G C -0.402 174.584 174.900 0.144 0.000 1.338 495 G CA -0.364 44.727 45.100 -0.014 0.000 0.883 495 G HN 0.669 nan 8.290 nan 0.000 0.570 496 D N 0.579 121.034 120.400 0.092 0.000 2.455 496 D HA 0.149 4.789 4.640 0.001 0.000 0.265 496 D C 1.907 178.264 176.300 0.096 0.000 1.284 496 D CA 0.210 54.252 54.000 0.069 0.000 0.944 496 D CB 0.295 41.107 40.800 0.020 0.000 1.121 496 D HN 0.497 nan 8.370 nan 0.000 0.525 497 R N 2.858 123.320 120.500 -0.064 0.000 2.189 497 R HA -0.061 4.280 4.340 0.001 0.000 0.223 497 R C 1.357 177.329 176.300 -0.547 0.000 1.092 497 R CA 0.531 56.358 56.100 -0.455 0.000 0.989 497 R CB 0.036 30.109 30.300 -0.378 0.000 0.876 497 R HN 0.472 nan 8.270 nan 0.000 0.457 498 N N 0.752 119.285 118.700 -0.278 0.000 2.519 498 N HA -0.118 4.623 4.740 0.001 0.000 0.186 498 N C 1.400 176.790 175.510 -0.200 0.000 1.062 498 N CA 0.868 53.781 53.050 -0.228 0.000 0.910 498 N CB 0.097 38.513 38.487 -0.119 0.000 0.958 498 N HN 0.296 nan 8.380 nan 0.000 0.445 499 L N 0.513 121.646 121.223 -0.150 0.000 2.418 499 L HA 0.115 4.456 4.340 0.001 0.000 0.218 499 L C 0.901 177.733 176.870 -0.063 0.000 1.125 499 L CA -0.278 54.555 54.840 -0.011 0.000 0.835 499 L CB -0.223 41.927 42.059 0.152 0.000 0.953 499 L HN -0.021 nan 8.230 nan 0.000 0.454 500 A N 1.750 124.229 122.820 -0.568 0.000 2.520 500 A HA 0.254 4.574 4.320 0.001 0.000 0.245 500 A C -2.063 175.342 177.584 -0.297 0.000 1.072 500 A CA -0.932 50.545 52.037 -0.933 0.000 0.761 500 A CB -0.551 16.988 19.000 -2.435 0.000 1.004 500 A HN -0.022 nan 8.150 nan 0.000 0.499 501 P HA 0.208 nan 4.420 nan 0.000 0.271 501 P C -0.341 177.054 177.300 0.157 0.000 1.216 501 P CA -0.030 63.117 63.100 0.079 0.000 0.776 501 P CB 1.074 32.799 31.700 0.042 0.000 0.881 502 S N 1.439 117.063 115.700 -0.127 0.000 2.648 502 S HA 0.799 5.270 4.470 0.001 0.000 0.305 502 S C -0.821 173.506 174.600 -0.454 0.000 1.094 502 S CA -0.629 57.533 58.200 -0.064 0.000 0.983 502 S CB 0.932 64.186 63.200 0.089 0.000 1.101 502 S HN 0.271 nan 8.310 nan 0.000 0.514 503 F N 0.432 120.423 119.950 0.069 0.000 2.556 503 F HA 0.509 5.037 4.527 0.001 0.000 0.314 503 F C 0.234 176.056 175.800 0.037 0.000 1.106 503 F CA -1.206 56.824 58.000 0.050 0.000 0.911 503 F CB 1.654 40.671 39.000 0.029 0.000 1.190 503 F HN 0.611 nan 8.300 nan 0.000 0.448 504 V N 0.119 120.145 119.914 0.187 0.000 3.237 504 V HA 0.333 4.453 4.120 0.001 0.000 0.305 504 V C 0.393 176.564 176.094 0.127 0.000 1.096 504 V CA -0.908 61.469 62.300 0.128 0.000 1.130 504 V CB 0.157 32.039 31.823 0.098 0.000 1.048 504 V HN 0.705 nan 8.190 nan 0.000 0.484 505 N N 1.327 120.086 118.700 0.099 0.000 2.294 505 N HA 0.073 4.814 4.740 0.001 0.000 0.275 505 N C 0.301 175.873 175.510 0.104 0.000 1.291 505 N CA 0.492 53.597 53.050 0.093 0.000 0.933 505 N CB -0.340 38.198 38.487 0.085 0.000 1.096 505 N HN 1.088 nan 8.380 nan 0.000 0.525 506 E N -0.954 119.326 120.200 0.134 0.000 2.131 506 E HA -0.278 4.072 4.350 0.001 0.000 0.166 506 E C -1.236 175.392 176.600 0.047 0.000 1.514 506 E CA 0.583 57.108 56.400 0.207 0.000 0.646 506 E CB -1.931 27.953 29.700 0.307 0.000 1.051 506 E HN 0.458 nan 8.360 nan 0.000 0.315 507 D N 0.000 120.384 120.400 -0.027 0.000 6.856 507 D HA 0.000 4.640 4.640 0.001 0.000 0.175 507 D CA 0.000 53.944 54.000 -0.093 0.000 0.868 507 D CB 0.000 40.774 40.800 -0.043 0.000 0.688 507 D HN 0.000 nan 8.370 nan 0.000 0.683